SCHEMBL6505227

SCHEMBL6505227

O=C1c2cccc(OCO)c2-c2[nH]c3ccc(OCc4ccccc4)cc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
NSD2 O96028 1/20 0.42
AS3MT Q9HBK9 1/20 0.42
SRD5A2 P31213 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
STK10 O94804 1/20 0.41
SLK Q9H2G2 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
SCHEMBL6504044 0.80 CTSV (0.48) MAOAMAOBCTSVCTSLCHEK1
SCHEMBL6496527 0.78 CTSV (0.51) MAOAMAOBCTSVCTSLCHEK1
SCHEMBL6498712 0.77 MAOA (0.52) MAOAMAOBCTSVCTSLCHEK1
SCHEMBL6505220 0.75 CTSV (0.47) MAOAMAOBCTSVCTSLCHEK1
SCHEMBL22541444 0.74 CHEK1 (0.56) MAOAMAOBCTSVCTSLCHEK1
SCHEMBL6494988 0.73 MAOA (0.48) MAOAMAOBCTSVCTSLCHEK1
SCHEMBL28367519 0.71 TRPM8 (0.53) MAOAMAOBCTSVCTSLNSD2
SCHEMBL16072720 0.70 KCNA3 (0.58) MAOB
SCHEMBL15536042 0.69 CTSV (0.69) MAOAMAOBCTSVCTSLNSD2
SCHEMBL22628995 0.69 CTSV (0.54) MAOAMAOBCTSVCTSLNSD2

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-6844445-B2 Indenoindolone compounds LES LABORATOIRES SERVIER (FR) 2005-01-18 US disclosed