SCHEMBL9452013

SCHEMBL9452013

COc1ccc(-c2nc(C(N)C(=O)CCC(=O)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
PTGDR2 Q9Y5Y4 7/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 6/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44

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
SCHEMBL9451942 0.87 GRM6 (0.45) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL10449750 0.81 PPARD (0.49) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL10801295 0.76 ALDH1A1 (0.54) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL10797270 0.76 PPARG (0.61) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL11562896 0.75 ALDH1A1 (0.58) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL10449749 0.75 PTGDR2 (0.47) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL10969883 0.74 PPARG (0.66) PTGS2PTGDR2MAPTALDH1A1GAA
SCHEMBL9451884 0.73 PTGS2 (0.58) PTGS2MAPTALDH1A1GAAKDM4E
SCHEMBL11561024 0.73 ALDH1A1 (0.55) PTGS2PTGDR2MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL9451973 0.73 NPC1 (0.48) PTGS2PTGDR2MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US disclosed
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed
EP-0388909-A2 Thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP disclosed