SCHEMBL9754142

SCHEMBL9754142

CCCc1ccc(C2CCC(c3ccc(F)c(F)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.42

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
SCHEMBL9754134 1.00 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL9742741 0.95 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL9742750 0.95 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL9742744 0.95 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL4323763 0.84 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL18310432 0.82 KDM1A (0.43) SPHK1SPHK2
SCHEMBL9302628 0.81 CYP2C9 (0.48) SPHK1SPHK2
SCHEMBL9302632 0.81 CYP2C9 (0.48) SPHK1SPHK2
SCHEMBL8774520 0.81 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL10896984 0.81 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
WO-1991017134-A1 PHENYL CYCLOHEXANES AND LIQUID CRISTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-11-14 WO disclosed