SCHEMBL11028402

SCHEMBL11028402

CCCCCCC[C@H]1CC[C@@H]2C[C@H](c3ccc(C)cc3)CC[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.40
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 7/20 0.36
CYP2C9 P11712 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL11028165 0.99 SPHK1 (0.38) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6454027 0.96 SPHK1 (0.37) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6454024 0.96 SPHK1 (0.37) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6454257 0.96 SPHK1 (0.37) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6454252 0.96 SPHK1 (0.37) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6459972 0.95 MAPT (0.36) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6459966 0.95 MAPT (0.36) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6462412 0.93 KCNH2 (0.39) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6462408 0.93 KCNH2 (0.39) SPHK1GAAMAPTCNR2CYP2C9
SCHEMBL6457261 0.93 KCNH2 (0.39) SPHK1GAAMAPTCNR2CYP2C9

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-4432885-A Decalins HOFFMANN-LA ROCHE INC. (US) 1984-02-21 US disclosed