SCHEMBL845182

SCHEMBL845182

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2)cc1)[C@@H]1CCCN1C(=O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.45
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL14648247 0.83 HSD17B10 (0.54) HSD17B10PTPN2PTPN1POLBCTDSP1
SCHEMBL845300 0.81 CYP2C9 (0.54) PTPN2PTPN1ALDH1A1CYP2C9CYP2C19
SCHEMBL845267 0.81 RHOC (0.46) HSD17B10ALDH1A1NPC1CYP2C9CYP2C19
SCHEMBL845089 0.81 TSHR (0.45) HSD17B10TDP1ALDH1A1NPC1CYP2C9
SCHEMBL873200 0.80 RHOC (0.48) ALDH1A1NPC1CYP2C9CYP2C19MAPT
SCHEMBL2196987 0.79 HSD17B10 (0.50) HSD17B10PTPN2PTPN1POLBCTDSP1
SCHEMBL845043 0.79 ALDH1A1 (0.47) HSD17B10ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL29106506 0.79 HSD17B10 (0.54) HSD17B10POLBALDH1A1USP2
SCHEMBL29106504 0.79 HSD17B10 (0.54) HSD17B10POLBALDH1A1USP2
SCHEMBL845205 0.79 ALDH1A1 (0.56) HSD17B10ALDH1A1CYP2C9CYP2C19KDM4E

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-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed