SCHEMBL7632086

SCHEMBL7632086

CSC(=O)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CAMK2A Q9UQM7 1/20 0.56
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
CTBP2 P56545 1/20 0.46
LMNA P02545 2/20 0.44
ESR1 P03372 5/20 0.44
ESR2 Q92731 3/20 0.44
SHBG P04278 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.41
F13A1 P00488 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 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
SCHEMBL10174346 0.83 HPGD (0.49) CTBP2LMNANPC1RAB9AALDH1A1
SCHEMBL7324963 0.80 PAM (0.59) FNTAFNTBCTBP2LMNARAB9A
SCHEMBL10763072 0.78 LMNA (0.53) FNTAFNTBLMNAPTGS1
SCHEMBL24164778 0.78 HTT (0.59) CTBP2LMNANPC1RAB9AKDM4E
SCHEMBL25457987 0.78 ALDH1A1 (0.48) NPC1RAB9AKDM4EALDH1A1CYP3A4
SCHEMBL24476689 0.76 CTBP2 (0.51) CTBP2LMNAKDM4ECYP3A4HIF1A
SCHEMBL7326010 0.75 GSK3B (0.53) NPC1RAB9A
SCHEMBL1808490 0.75 SMN1; SMN2 (0.54) CA2KDM4E
SCHEMBL4455 0.75 CA2 (0.62) CA2CAMK2AFNTAFNTBCTBP2
SCHEMBL7150590 0.74 CA2 (0.68) CA2CAMK2AFNTAFNTBCTBP2

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
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed