SCHEMBL3364830

SCHEMBL3364830

CN(C)C1(c2ccccc2)CCC(=CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
ACE P12821 4/20 0.52
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
ECE1 P42892 3/20 0.49
KMT2A Q03164 1/20 0.49
MME P08473 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
Hydrochloric Acid SCHEMBL3367983 0.99 ALOX15 (0.55) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL2379077 0.93 KMT2A (0.52) ALOX15KMT2AOPRM1OPRL1MAPT
SCHEMBL2379016 0.93 KMT2A (0.52) ALOX15KMT2AOPRM1OPRL1MAPT
Hydrochloric Acid SCHEMBL2380910 0.92 KMT2A (0.52) ALOX15KMT2AOPRM1OPRL1MAPT
Hydrochloric Acid SCHEMBL2379214 0.92 KMT2A (0.52) ALOX15KMT2AOPRM1OPRL1MAPT
SCHEMBL2378536 0.90 OPRL1 (0.49) ALOX15ACEOPRM1OPRL1MAPK1
Hydrochloric Acid SCHEMBL2382884 0.89 OPRL1 (0.48) ALOX15ACEOPRM1OPRL1MAPK1
SCHEMBL2379397 0.84 OPRL1 (0.58) KMT2AOPRM1OPRL1MAPT
SCHEMBL2378645 0.83 MEN1 (0.43) ALOX15ITGB2ICAM1ITGALKMT2A
Hydrochloric Acid SCHEMBL303239 0.83 OPRL1 (0.57) KMT2AOPRM1OPRL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP claimed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP disclosed