SCHEMBL8022577

SCHEMBL8022577

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPM8 Q7Z2W7 3/20 0.37
BACE1 P56817 3/20 0.35
STS P08842 1/20 0.35
GAA P10253 1/20 0.35
ABCB1 P08183 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 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
SCHEMBL8020026 0.88 BACE1 (0.38) MEN1KMT2ABACE1GAAALDH1A1
SCHEMBL8018669 0.88 OPRM1 (0.38) MEN1KMT2ABACE1GAAKCNK3
SCHEMBL27512364 0.79 OPRM1 (0.36) MEN1KMT2ABACE1GAAALDH1A1
SCHEMBL27512707 0.79 BACE1 (0.37) MEN1KMT2ABACE1ALDH1A1CPB2
SCHEMBL8025163 0.72 SIRT2 (0.40) MEN1KMT2ASTSGAANPSR1
SCHEMBL8018813 0.70 NPSR1 (0.42) MEN1KMT2ANPSR1KCNK3KCNK9
SCHEMBL8025166 0.67 GAA (0.42) MEN1KMT2AGAAABCB1ALDH1A1
SCHEMBL29254982 0.67 MAPK1 (0.33)
SCHEMBL8018811 0.67 NPSR1 (0.43) MEN1KMT2ASTSGAANPSR1
SCHEMBL499531 0.66 ERCC5 (0.43) MEN1KMT2AGAAALDH1A1CPB2

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