SCHEMBL1376979

SCHEMBL1376979

Cc1cc(CC(N)=O)ccc1N1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
AKR1C3 P42330 1/20 0.44
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
BRD9 Q9H8M2 1/20 0.41
USP2 O75604 1/20 0.41
F10 P00742 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
PSMB5 P28074 1/20 0.39
KCNQ2 O43526 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1675923 0.97 HSD17B10 (0.49) HSD17B10AKR1C3OPRM1OPRD1OPRK1
SCHEMBL1675756 0.81 F10 (0.46) F10KCNQ2
SCHEMBL8305499 0.80 HSD17B10 (0.51) HSD17B10AKR1C3BRD9CYP2C9CYP3A4
SCHEMBL4508150 0.79 HSD17B10 (0.51) HSD17B10AKR1C3BRD9USP2CYP2C9
SCHEMBL76351 0.79 KMT2A (0.58) HSD17B10AKR1C3BRD9CYP2C9CYP3A4
SCHEMBL5425961 0.77 KMT2A (0.57) HSD17B10AKR1C3BRD9CYP2C9CYP3A4
SCHEMBL4825042 0.77 GAA (0.56) HSD17B10AKR1C3USP2CYP2C9CYP3A4
SCHEMBL1479266 0.76 CYP2C9 (0.55) HSD17B10AKR1C3USP2CYP2C9CYP3A4
SCHEMBL2760313 0.75 HSD17B10 (0.57) HSD17B10AKR1C3BRD9CYP2C9CYP3A4
SCHEMBL1675932 0.75 ALDH1A1 (0.59) USP2PSMB5MEN1KMT2AHPGD

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-4732757-B2 2011-07-27 JP claimed