SCHEMBL5809155

SCHEMBL5809155

COc1ccc2c(c1)c(C(OC(C)=O)C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.61
▸ PTGS1 P23219 4/20 0.61
▸ AKR1C3 P42330 4/20 0.61
▸ AKR1C2 P52895 3/20 0.61
▸ PPARG P37231 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ PTGES O14684 1/20 0.61
▸ ABCC3 O15438 1/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ MT-CO2 P00403 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ALB P02768 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ ABCB1 P08183 1/20 0.61
▸ ALOX5 P09917 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ CXCL8 P10145 1/20 0.61
▸ AR P10275 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL10910165 0.99 PTGS2 (0.60) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL11828310 0.99 PTGS2 (0.60) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL11074409 0.94 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL10909068 0.91 LMNA (0.59) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL10849678 0.87 PTGS2 (0.58) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL11615782 0.86 PTGS2 (0.59) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL11621747 0.85 PTGS2 (0.64) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL28817659 0.85 PTGS2 (0.64) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL2739295 0.84 PTGS2 (0.66) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL31612394 0.84 PTGS2 (0.63) PTGS2PTGS1AKR1C3AKR1C2PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087656-B1 PROCESS FOR THE PREPARATION OF 1-(4-CHLORBENZOYL)-5-METHOXY-2-METHYL-3-INDOLYLACETOXY-ACETIC ACID Troponwerke GmbH & Co. KG (DE) 1986-05-07 — — EP claimed
EP-0087654-B1 PROCESS FOR THE PREPARATION OF 1-(4-CHLORBENZOYL)-5-METHOXY-2-METHYL-3-INDOLYLACETOXY-ACETIC ACID Troponwerke GmbH & Co. KG (DE) 1986-04-30 — — EP claimed
US-4503237-A Method for the production of acemetacin SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-03-05 — — US claimed
US-3966956-A [1-(P-Chlorobenzoyl)-5-methoxy-2-methyl-3-indole]acetoxyacetic acid and salts in treating inflammation TROPONWERKE DINKLAGE & COMPANY (DT) 1976-06-29 — — US claimed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 — — CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 — — CN disclosed
CN-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 — — CN disclosed
WO-2006099677-A1 METAL COMPLEXES MEDICAL THERAPIES LIMITED (AU) 2006-09-28 — — WO disclosed
EP-0126942-B1 PREPARATION PROCESS OF ACEMETACIN Troponwerke GmbH & Co. KG (DE) 1987-09-30 — — EP disclosed
US-4603210-A Preparation process of acemetacin TROPONWERKE GMBH & CO. KG. (DE) 1986-07-29 — — US disclosed
US-4585880-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1986-04-29 — — US disclosed
US-4585880-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1986-04-29 — — US disclosed
US-4459415-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1984-07-10 — — US disclosed
US-4459415-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1984-07-10 — — US disclosed
EP-0088252-A1 Process for the preparation of 1-(4-chlorbenzoyl)-5-methoxy-2-methyl-3-indolacetoxy-acetic acid Troponwerke GmbH & Co. KG (DE) 1983-09-14 — — EP disclosed
EP-0087657-A1 Process for the preparation of 1-(4-chlorbenzoyl)-5-methoxy-2-methyl-3-indolylacetoxy-acetic acid Troponwerke GmbH & Co. KG (DE) 1983-09-07 — — EP disclosed
EP-0027956-A1 Process for preparing (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indole) acetoxy acetic acid Troponwerke GmbH & Co. KG (DE) 1981-05-06 — — EP disclosed
US-4104278-A Process for the production of compounds with antiphlogistic activity TROPONWERKE DINKLAGE & CO. (DE) 1978-08-01 — — US disclosed
US-3966956-A [1-(P-Chlorobenzoyl)-5-methoxy-2-methyl-3-indole]acetoxyacetic acid and salts in treating inflammation TROPONWERKE DINKLAGE & COMPANY (DT) 1976-06-29 — — US disclosed
US-3966956-A [1-(P-Chlorobenzoyl)-5-methoxy-2-methyl-3-indole]acetoxyacetic acid and salts in treating inflammation TROPONWERKE DINKLAGE & COMPANY (DT) 1976-06-29 — — US disclosed
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