SCHEMBL9475705

SCHEMBL9475705

CCCCCc1ccc(C2CCC(CCC3CCC(C=CF)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
SPHK2 Q9NRA0 7/20 0.48
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9475711 1.00 SPHK1 (0.54) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL9475699 1.00 SPHK1 (0.54) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL9477498 0.99 SPHK1 (0.56) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL9477512 0.99 SPHK1 (0.56) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL9477504 0.99 SPHK1 (0.56) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL9475573 0.96 SPHK1 (0.49) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475579 0.96 SPHK1 (0.49) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475585 0.96 SPHK1 (0.49) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9476764 0.94 SPHK1 (0.61) SPHK1SPHK2S1PR2S1PR4S1PR1
SCHEMBL9476752 0.94 SPHK1 (0.61) SPHK1SPHK2S1PR2S1PR4S1PR1

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-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed