SCHEMBL32663100

SCHEMBL32663100

CC(C)n1c(=O)[nH]c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 11/20 0.52
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.47
USP1 O94782 1/20 0.43
PGR P06401 4/20 0.42
ACSS2 Q9NR19 1/20 0.41

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
SCHEMBL32663104 1.00 B3GNT2 (0.52) B3GNT2USP2ALDH1A1LMNAPOLB
SCHEMBL32663049 0.98 B3GNT2 (0.52) B3GNT2USP2ALDH1A1LMNAPOLB
SCHEMBL21839375 0.76 B3GNT2 (0.75) B3GNT2POLBPGR
SCHEMBL20529180 0.73 B3GNT2 (0.57) B3GNT2ALDH1A1POLBPGR
SCHEMBL32663068 0.72 POLB (0.58) B3GNT2POLBPGR
SCHEMBL25353254 0.70 DGAT2 (0.51) ACSS2
SCHEMBL25351160 0.70 DGAT2 (0.51) ACSS2
SCHEMBL25351807 0.68 DGAT2 (0.51) ACSS2
SCHEMBL27212769 0.68 DGAT2 (0.46) ALDH1A1ACSS2
SCHEMBL5409687 0.68 TDO2 (0.57) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225739-B1 PREPARATION OF BENZIMIDAZOLONE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-21 EP claimed