SCHEMBL11031473

SCHEMBL11031473

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.51
SPHK2 Q9NRA0 7/20 0.45
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL11030657 0.97 SPHK1 (0.55) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL11029454 0.96 SPHK1 (0.57) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL11027792 0.95 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL11027967 0.93 SPHK1 (0.50) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL11026653 0.93 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL11030656 0.92 SPHK1 (0.55) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL6454809 0.91 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL6454810 0.91 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL11032593 0.91 SPHK1 (0.57) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL11031734 0.90 SPHK1 (0.43) SPHK1SPHK2

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