SCHEMBL9029786

SCHEMBL9029786

Cc1ccoc1Cn1cccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 6/20 0.37
CNR2 P34972 2/20 0.37
PPARG P37231 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.35
MAP3K14 Q99558 1/20 0.35
CNR1 P21554 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL9022821 0.74 CNR2 (0.53) L3MBTL1TDP1CNR2TSHRCYP1A2
SCHEMBL9022822 0.73 MEN1 (0.43) EPHX2CNR2PPARGCNR1ALDH1A1
SCHEMBL9022464 0.71 CNR2 (0.46) EPHX2CNR2CNR1KDM4ECA12
SCHEMBL1607395 0.71 CNR2 (0.57) L3MBTL1EPHX2CNR2TSHRLMNA
SCHEMBL29229 0.70 LMNA (0.44) L3MBTL1TDP1EPHX2PPARGLMNA
SCHEMBL9022364 0.70 EPHX2 (0.43) EPHX2CNR2PPARGLMNAMAP3K14
SCHEMBL27263178 0.70 DAO (0.40) EPHX2CNR2PPARGLMNAMAP3K14
SCHEMBL24434970 0.69 KDM4E (0.43) EPHX2CNR2PPARGCNR1KDM4E
SCHEMBL12926197 0.69 KDM4E (0.54) TDP1EPHX2CYP3A4LMNAALDH1A1
SCHEMBL9022641 0.69 CNR2 (0.48) L3MBTL1TDP1CNR2TSHRCYP1A2

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-0381141-B1 Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
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