SCHEMBL998208

SCHEMBL998208

COc1ccc2[nH]c(C)c(CC(=O)O)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.46
ABCB1 P08183 3/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
PTGDR Q13258 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ABCB11 O95342 2/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL5154201 0.91 POLB (0.41) AKR1C2ABCB1PTGDR2PTGDRMAPT
SCHEMBL9017484 0.90 AKR1C2 (0.56) AKR1C2PTGS2PTGS1MAPTKDM4E
SCHEMBL4691290 0.90 PTGS1 (0.44) AKR1C2ABCB1PTGS2PTGS1PTGDR2
SCHEMBL6013496 0.90 AKR1C2 (0.49) AKR1C2PTGS2PTGS1MAPTKDM4E
SCHEMBL18765238 0.89 POLB (0.38) AKR1C2ABCB1PTGS2PTGS1PTGDR2
SCHEMBL5809614 0.89 MEN1 (0.40) AKR1C2ABCB1PTGS2PTGDR2PTGDR
SCHEMBL5499426 0.88 AKR1C2 (0.48) AKR1C2PTGS2PTGS1PTGDR2PTGDR
SCHEMBL5154300 0.87 POLB (0.38) AKR1C2PTGS2PTGDR2PTGDRMAPT
SCHEMBL5806535 0.86 POLB (0.41) PTGS1MAPTGAAPOLBALDH1A1
SCHEMBL5496301 0.85 AKR1C2 (0.46) AKR1C2ABCB1PTGDR2PTGDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006223-A1 Crystalline sodium and potassium indomethacin and their trihydrates, process for preparing and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1980-01-09 EP claimed
WO-2024105529-A1 CHEMICAL DISBUDDING OF LIVESTOCK MASSEY UNIVERSITY (NZ) 2024-05-23 WO disclosed
WO-2023134733-A1 TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS TECHFIELDS PHARMA CO., LTD. (CN) 2023-07-20 WO disclosed
EP-3938385-A1 ENGINEERED CELLS FOR PRODUCTION OF INDOLE-DERIVATIVES Danmarks Tekniske Universitet (DK) 2022-01-19 EP disclosed
WO-2020187739-A1 ENGINEERED CELLS FOR PRODUCTION OF INDOLE-DERIVATIVES DANMARKS TEKNISKE UNIVERSITET (DK) 2020-09-24 WO disclosed
WO-2018148721-A1 HIGHLY SELECTIVE AKR1C3 INHIBITORS AND METHODS OF USE THEREOF TEXAS TECH UNIVERSITY SYSTEM (US) 2018-08-16 WO disclosed
WO-2015097667-A2 A COMPOSITION, PROCESS OF PREPARATION OF SAID COMPOSITION, KIT AND A METHOD OF TREATING CANCER CELLWORKS GROUP, INC., (US) 2015-07-02 WO disclosed
EP-2459186-A1 OPHTHALMIC SOLUTION FOR PROTECTING INTERNAL STRUCTURES OF THE EYEBALL AGAINST UV-A RAYS OR FOR THE TREATMENT OF KERATOCONUS WITH A TRANS-EPITHELIAL CROSS-LINKING TECHNIQUE Troisi, Salvatore (IT) 2012-06-06 EP disclosed
EP-2323976-A1 ARYL ALKYL CARBOXYLIC ACID SALTS, PROCESS FOR PREPARATION AND DOSAGE FORMS Shasun Chemicals And Drugs Limited (IN) 2011-05-25 EP disclosed
WO-2011001228-A1 ARYL ALKYL CARBOXYLIC ACID SALTS, PROCESS FOR PREPARATION AND DOSAGE FORMS SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2011-01-06 WO disclosed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP disclosed
EP-0473655-A4 DIVALENT METAL SALTS OF INDOMETHACIN 1992-05-20 EP disclosed
EP-0473655-A1 DIVALENT METAL SALTS OF INDOMETHACIN. BIOCHEMICAL VETERINARY RES (AU) 1992-03-11 EP disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
EP-0051193-A1 The use of N-halogenophenyl-benzisothiazoles A. Nattermann & Cie. GmbH (DE) 1982-05-12 EP disclosed
EP-0050385-A1 Piridoxine derivatives, a process for their preparation and related pharmaceutical compositions D and D S.r.l. (IT) 1982-04-28 EP disclosed
EP-0017169-A1 Improved anti-inflammatory combinations having reduced ulcerogenicity MERCK & CO. INC. (US) 1980-10-15 EP disclosed
EP-0010061-A1 Pharmaceutical preparations containing a mollusc extract Mc Farlane, Stuart John (NZ) 1980-04-16 EP disclosed
EP-0006223-A1 Crystalline sodium and potassium indomethacin and their trihydrates, process for preparing and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1980-01-09 EP disclosed
US-4119638-A Thio-ester of 1 (p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid G. D. SEARLE & CO. (US) 1978-10-10 US disclosed