SCHEMBL9475573

SCHEMBL9475573

CCCCc1ccc(C2CCC(CCC3CCC(/C=C/F)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.49
SPHK2 Q9NRA0 7/20 0.43
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9475579 1.00 SPHK1 (0.49) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475585 1.00 SPHK1 (0.49) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475699 0.96 SPHK1 (0.54) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475711 0.96 SPHK1 (0.54) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9475705 0.96 SPHK1 (0.54) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL9477512 0.95 SPHK1 (0.56) SPHK1SPHK2CYP2C9
SCHEMBL9477504 0.95 SPHK1 (0.56) SPHK1SPHK2CYP2C9
SCHEMBL9477498 0.95 SPHK1 (0.56) SPHK1SPHK2CYP2C9
SCHEMBL9480042 0.93 SPHK1 (0.55) SPHK1SPHK2
SCHEMBL9480028 0.93 SPHK1 (0.55) 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-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