SCHEMBL9314535

SCHEMBL9314535

CCCOC1CCC(c2ccc(CCC(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.37
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL9314526 1.00 SPHK1 (0.42) SPHK1SPHK2CARM1PRMT6FFAR4
SCHEMBL9762705 0.97 SPHK1 (0.40) SPHK1SPHK2CARM1PRMT6FFAR4
SCHEMBL9762707 0.97 SPHK1 (0.40) SPHK1SPHK2CARM1PRMT6FFAR4
SCHEMBL9313589 0.92 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL9313597 0.92 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL9313531 0.91 SPHK1 (0.48) SPHK1SPHK2FFAR4
SCHEMBL9313536 0.91 SPHK1 (0.48) SPHK1SPHK2FFAR4
SCHEMBL9314307 0.90 SPHK1 (0.41) SPHK1SPHK2CARM1PRMT6FFAR4
SCHEMBL9314315 0.90 SPHK1 (0.41) SPHK1SPHK2CARM1PRMT6FFAR4
SCHEMBL9314514 0.90 SPHK1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425622-B1 MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 1994-10-12 EP disclosed
US-5308537-A Unsaturated liquid crystal compounds containing trifluoromethyl groups MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-05-03 US disclosed
WO-1990013610-A1 MESOGENIC COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-15 WO disclosed