SCHEMBL10788768

SCHEMBL10788768

CC(=O)OCC(=O)O.COc1ccc2c(c1)cc(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.78
▸ AKR1C2 P52895 7/20 0.78
▸ PTGS1 P23219 6/20 0.59
▸ PTGS2 P35354 4/20 0.59
▸ GLO1 Q04760 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ TUBB1 Q9H4B7 1/20 0.54
▸ PPARG P37231 5/20 0.54
▸ AKR1C4 P17516 3/20 0.54
▸ AKR1C1 Q04828 3/20 0.54
▸ ABCB1 P08183 2/20 0.54
▸ AR P10275 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PTGES O14684 1/20 0.54
▸ ABCC3 O15438 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ ABCB11 O95342 1/20 0.54

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
Acetic Acid SCHEMBL11761270 0.89 AKR1C3 (0.93) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL11037919 0.88 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL29481380 0.88 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL11262826 0.88 AKR1C3 (0.78) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL11255524 0.86 AKR1C3 (0.74) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL11267918 0.84 AKR1C3 (0.72) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL5268342 0.84 AKR1C3 (0.78) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL11615785 0.81 AKR1C3 (0.73) AKR1C3AKR1C2PTGS1PTGS2GLO1
SCHEMBL11086794 0.81 AKR1C3 (0.76) AKR1C3AKR1C2PTGS1PTGS2TUBB1
SCHEMBL10874423 0.80 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1PTGS2GLO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084127-B1 PROCESS FOR PREPARING ACEMATICINE SIEGFRIED AKTIENGESELLSCHAFT (CH) 1986-04-02 — — EP claimed
CN-100336501-C Sustained-release round granule composition for treating enteritis and pain and preparation method thereof JIANQIAO XINYUAN MEDICINE BIOL (CN) 2007-09-12 — — CN disclosed
CN-1579369-A Sustained-release round granule composition for treating enteritis and pain and preparation method thereof JIANQIAO XINYUAN MEDICINE BIOL (CN) 2005-02-16 — — CN disclosed
EP-0126942-B1 PREPARATION PROCESS OF ACEMETACIN Troponwerke GmbH & Co. KG (DE) 1987-09-30 — — EP disclosed
US-4614741-A INJECTABLE SUSPENSIONS TROPONWERKE GMBH & CO., KG (DE) 1986-09-30 — — US disclosed
US-4603210-A Preparation process of acemetacin TROPONWERKE GMBH & CO. KG. (DE) 1986-07-29 — — 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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