SCHEMBL6009064

SCHEMBL6009064

CCCc1ccc2c(c1)[nH]c1cc(CCC)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.58
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PTGES O14684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
MAOA P21397 2/20 0.39
DYRK1A Q13627 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
AHR P35869 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
SCHEMBL6009616 0.91 KIF11 (0.74) KIF11PTGESCYP2C9KDM4EALDH1A1
SCHEMBL6009585 0.91 KIF11 (0.55) KIF11CNR1CNR2PTGESCYP2C9
SCHEMBL18611883 0.88 KIF11 (0.55) KIF11PTGESNPC1RAB9AGPR84
SCHEMBL21415879 0.85 KIF11 (0.49) KIF11CNR1CNR2PTGESCYP2C9
SCHEMBL9707132 0.84 KIF11 (0.51) KIF11PTGESKDM4EALDH1A1LPL
SCHEMBL9707151 0.84 KIF11 (0.51) KIF11PTGESKDM4EALDH1A1LPL
SCHEMBL9707156 0.84 KIF11 (0.51) KIF11PTGESKDM4EALDH1A1LPL
SCHEMBL28298246 0.84 KIF11 (0.51) KIF11PTGESKDM4EALDH1A1LPL
SCHEMBL9707129 0.84 KIF11 (0.51) KIF11PTGESKDM4EALDH1A1LPL
SCHEMBL19583355 0.83 HSD17B10 (0.50) KIF11CNR1CNR2KDM4EALDH1A1

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-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed