SCHEMBL9166374

SCHEMBL9166374

CCC/C=C/[C@H]1CC[C@H](c2ccc(-c3ccc(CCC)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.38
P2RY14 Q15391 1/20 0.34
HDAC2 Q92769 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
SCHEMBL9182057 1.00 SPHK1 (0.43) SPHK1SPHK2P2RY14HDAC2
SCHEMBL9182052 1.00 SPHK1 (0.43) SPHK1SPHK2P2RY14HDAC2
SCHEMBL9773969 0.96 SPHK1 (0.46) SPHK1SPHK2HDAC2
SCHEMBL9773985 0.96 SPHK1 (0.46) SPHK1SPHK2HDAC2
SCHEMBL9773979 0.96 SPHK1 (0.46) SPHK1SPHK2HDAC2
SCHEMBL9773993 0.96 SPHK1 (0.46) SPHK1SPHK2HDAC2
SCHEMBL8454730 0.91 SPHK1 (0.40) SPHK1SPHK2P2RY14HDAC2
SCHEMBL8454718 0.91 SPHK1 (0.40) SPHK1SPHK2P2RY14HDAC2
SCHEMBL8454728 0.91 SPHK1 (0.40) SPHK1SPHK2P2RY14HDAC2
SCHEMBL8454713 0.91 SPHK1 (0.40) SPHK1SPHK2P2RY14HDAC2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464648-B1 4-Cyano-3-fluorophenyl esters HOFFMANN LA ROCHE (CH) 1995-12-06 EP disclosed
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
EP-0457105-B1 Chiral dioxanes as components of liquid crystal mixtures HOFFMANN LA ROCHE (CH) 1995-07-26 EP disclosed
US-5413734-A 4-cyano-3-fluorophenyl esters HOFFMANN-LA ROCHE INC. (US) 1995-05-09 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0355552-B1 Alkoxymethyl- and alkenyloxymethyl-cyclohexanes HOFFMANN LA ROCHE (CH) 1994-02-23 EP disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed
EP-0464648-A1 4-Cyano-3-fluorophenyl esters F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP disclosed
EP-0457105-A1 Chiral dioxanes as components of liquid crystal mixtures F. HOFFMANN-LA ROCHE AG (CH) 1991-11-21 EP disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
EP-0315014-A2 Halogenated benzene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed
EP-0261614-A2 Liquid crystal display cell F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-30 EP disclosed
EP-0167912-A2 Liquid crystal mixtures containing compounds with a 4-alkenyl or 2Z-alkenyl lateral chain F. HOFFMANN-LA ROCHE AG (CH) 1986-01-15 EP disclosed