SCHEMBL4814952

SCHEMBL4814952

CC1(CC2CCCCC2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
SIGMAR1 Q99720 7/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ACHE P22303 1/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL11430167 0.97 OPRM1 (0.33) CYP1A2SIGMAR1OPRM1OPRL1
SCHEMBL21115811 0.92 OPRM1 (0.33) CYP1A2SIGMAR1OPRM1OPRL1
SCHEMBL1221805 0.90 OPRM1 (0.34) CYP1A2SIGMAR1OPRM1OPRL1
SCHEMBL16053240 0.84
SCHEMBL31154595 0.84 ACHE (0.41) CYP1A2SIGMAR1OPRM1OPRL1ACHE
SCHEMBL19509966 0.82
SCHEMBL21649725 0.81 SIGMAR1 (0.33) CYP1A2SIGMAR1
SCHEMBL31154616 0.79 CYP1A2 (0.37) CYP1A2OPRM1OPRL1ACHE
SCHEMBL3578495 0.78
SCHEMBL6153538 0.76 CYP1A2 (0.48) CYP1A2SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402715-B2 Fluids for traction drive IDEMITSU KOSAN CO., LTD. (JP) 2008-07-22 US disclosed
US-20040181102-A1 Fluids for traction drive IDEMITSU KOSAN CO., LTD. (JP) 2004-09-16 US disclosed
EP-1416033-A1 FLUIDS FOR TRACTION DRIVE IDEMITSU KOSAN CO., LTD. (JP) 2004-05-06 EP disclosed