SCHEMBL1675923

SCHEMBL1675923

Cc1cc(CC(N)=O)ccc1N1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
USP2 O75604 2/20 0.43
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 1/20 0.42
PSMB5 P28074 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1376979 0.97 HSD17B10 (0.46) HSD17B10AKR1C3OPRM1OPRD1OPRK1
SCHEMBL4508150 0.82 HSD17B10 (0.51) HSD17B10AKR1C3USP2CYP2C9CYP3A4
SCHEMBL1675756 0.81 F10 (0.46)
SCHEMBL2760313 0.78 HSD17B10 (0.57) HSD17B10AKR1C3CYP2C9CYP3A4KMT2A
SCHEMBL1675932 0.77 ALDH1A1 (0.59) USP2PSMB5KMT2AMEN1HPGD
SCHEMBL3866085 0.77 HSD17B10 (0.59) HSD17B10AKR1C3CYP2C9CYP3A4KMT2A
SCHEMBL30168124 0.77 HSD17B10 (0.59) HSD17B10AKR1C3CYP2C9CYP3A4KMT2A
SCHEMBL8305499 0.77 HSD17B10 (0.51) HSD17B10AKR1C3CYP2C9CYP3A4PSMB5
SCHEMBL4825042 0.77 GAA (0.56) HSD17B10AKR1C3USP2CYP2C9CYP3A4
SCHEMBL7934713 0.76 GAA (0.58) HSD17B10AKR1C3CYP2C9CYP3A4KMT2A

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
JP-4668614-B2 2011-04-13 JP claimed