SCHEMBL9765614

SCHEMBL9765614

CCc1ccsc1Cn1cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.44
PPARG P37231 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
LMNA P02545 2/20 0.38
MAP3K14 Q99558 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARA Q07869 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL9022900 0.73 CYP2C19 (0.49) EPHX2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL29229 0.72 LMNA (0.44) EPHX2PPARGLMNAMAP3K14MEN1
SCHEMBL5776620 0.70 MEN1 (0.42) EPHX2PPARGLMNAMEN1ALDH1A1
SCHEMBL1607395 0.70 CNR2 (0.57) EPHX2LMNAMAP3K14ALDH1A1MAPT
SCHEMBL27263180 0.69 EPHX2 (0.49) EPHX2PPARGLMNAMAP3K14PPARA
SCHEMBL27263178 0.69 DAO (0.40) EPHX2PPARGLMNAMAP3K14MEN1
SCHEMBL11494952 0.69 LMNA (0.41) EPHX2PPARGLMNAMAP3K14PPARA
SCHEMBL4600787 0.68 PTGDR2 (0.41) PPARGMEN1ALDH1A1KMT2AKDM4E
Carbamic Acid SCHEMBL9006901 0.68 ALOX5 (0.42) MEN1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL1606849 0.67 CNR2 (0.42) LMNAMEN1ALDH1A1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022754-C Novel aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds preparation method MERRELL DOW PHARMA (US) 1993-11-17 CN disclosed
US-5041554-A Replace steroids in treatment of inflammatory diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed
US-5039695-A Method of using aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds in the treatment of interleukin-1 mediated conditions MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
CN-1044653-A The new aryl or the heteroaryl-I-alkyl-pyrroles-2-carboxylic acid that are used for the treatment of the pathological state of interleukin-I mediation MERRELL DOW PHARMA (US) 1990-08-15 CN disclosed
EP-0381141-A2 Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions MERRELL PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed
EP-0381142-A2 Method of using aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds in the treatment of interleukin-1 mediated conditions MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed