SCHEMBL8018669

SCHEMBL8018669

CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1(C(=O)O)CC1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BACE1 P56817 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
KCNK3 O14649 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL27512364 0.91 OPRM1 (0.36) OPRM1OPRL1MEN1KMT2ABACE1
SCHEMBL8020026 0.88 BACE1 (0.38) MEN1KMT2ABACE1ALDH1A1GAA
SCHEMBL8022577 0.88 MEN1 (0.38) MEN1KMT2ABACE1KCNK3ALDH1A1
SCHEMBL27512707 0.79 BACE1 (0.37) MEN1KMT2ABACE1ALDH1A1LMNA
SCHEMBL8018983 0.72 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1KCNK3ALDH1A1
SCHEMBL8007797 0.70 CES2 (0.42) OPRM1OPRL1MEN1KMT2AL3MBTL1
SCHEMBL8018985 0.67 OPRM1 (0.39) OPRM1OPRL1MEN1KMT2AL3MBTL1
SCHEMBL29254982 0.67 MAPK1 (0.33)
SCHEMBL8007793 0.67 CES2 (0.44) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL6050410 0.66 CTNNB1 (0.42) MEN1KMT2AKDM4ELMNATSHR

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-0973720-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-26 EP disclosed
WO-1998040344-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-17 WO disclosed