SCHEMBL7901528

SCHEMBL7901528

CCc1ccc(C)c(N2CCCCC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.47
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.44
PARP1 P09874 3/20 0.44
SRD5A1 P18405 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
AKR1C3 P42330 1/20 0.40
AR P10275 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL4508150 0.85 HSD17B10 (0.51) HSD17B10USP2CYP2C9CYP3A4PARP1
SCHEMBL17244485 0.83 HSD17B10 (0.64) HSD17B10USP2CYP2C9CYP3A4HPGD
SCHEMBL19049642 0.81 HSD17B10 (0.43) HSD17B10USP2HPGDPARP1SRD5A1
SCHEMBL4480763 0.81 SRD5A1 (0.42) HSD17B10USP2PARP1SRD5A1MAPK1
SCHEMBL12545693 0.78 HSD17B10 (0.47) HSD17B10USP2CYP2C9CYP3A4HPGD
SCHEMBL4518789 0.78 HSD17B10 (0.43) HSD17B10USP2HPGDPARP1SRD5A1
SCHEMBL17979899 0.76 HSD17B10 (0.59) HSD17B10USP2CYP2C9CYP3A4HPGD
SCHEMBL22702092 0.76 ALOX5 (0.55) HSD17B10CYP2C9CYP3A4HPGDPARP1
SCHEMBL1696787 0.76 USP2 (0.55) USP2HPGDBRD9AKR1C3KMT2A
SCHEMBL12569511 0.76 DDB1 (0.54) HSD17B10HPGDBRD9MAPK1AKR1C3

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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed