SCHEMBL8517438

SCHEMBL8517438

CCCCCC(C)C1(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
DNM1 Q05193 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL9539337 0.78 ACE2 (0.44) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL21237640 0.71
SCHEMBL19171390 0.70
SCHEMBL18076321 0.70 OPRM1 (0.37) OPRM1CA1SPHK1LMNAMAPT
SCHEMBL23258007 0.69 MAPT (0.37) OPRM1SPHK1LMNAMAPTADH1B
SCHEMBL9136448 0.68 OPRM1 (0.39) OPRM1SPHK1LMNAMAPTADH1B
SCHEMBL1898218 0.66
SCHEMBL25092582 0.65 OPRM1 (0.41) OPRM1SPHK1LMNAMAPTADH1B
SCHEMBL13858888 0.64 OPRM1 (0.58) OPRM1CA1SPHK1LMNATP53
Hexane SCHEMBL1303513 0.64 OPRM1 (0.58) OPRM1CA1SPHK1LMNATP53

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-1999065856-A1 POLYMERIC-AMINE FUEL AND LUBRICANT ADDITIVE PETROKLEEN, LTD. (US) 1999-12-23 WO disclosed