SCHEMBL11027792

SCHEMBL11027792

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.42
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL11027967 0.99 SPHK1 (0.50) SPHK1SPHK2MAPT
SCHEMBL6454810 0.96 SPHK1 (0.45) SPHK1SPHK2CYP2C9MAPT
SCHEMBL6454809 0.96 SPHK1 (0.45) SPHK1SPHK2CYP2C9MAPT
SCHEMBL6451667 0.95 SPHK1 (0.47) SPHK1SPHK2MAPT
SCHEMBL6453746 0.95 SPHK1 (0.47) SPHK1SPHK2MAPT
SCHEMBL6451664 0.95 SPHK1 (0.47) SPHK1SPHK2MAPT
SCHEMBL6453742 0.95 SPHK1 (0.47) SPHK1SPHK2MAPT
SCHEMBL11030657 0.95 SPHK1 (0.55) SPHK1SPHK2
SCHEMBL11031473 0.95 SPHK1 (0.51) SPHK1SPHK2
SCHEMBL11029454 0.93 SPHK1 (0.57) SPHK1SPHK2ALDH1A1LMNA

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