SCHEMBL9625346

SCHEMBL9625346

CCCc1ccc(C2CCC(C=C(F)F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
SPHK2 Q9NRA0 7/20 0.43
CYP2C9 P11712 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL9625349 1.00 SPHK1 (0.46) SPHK1SPHK2CYP2C9LPLLIPG
SCHEMBL9626535 0.96 SPHK1 (0.43) SPHK1SPHK2CYP2C9LPLLIPG
SCHEMBL9626542 0.96 SPHK1 (0.43) SPHK1SPHK2CYP2C9LPLLIPG
SCHEMBL7857320 0.93 SPHK1 (0.41) SPHK1SPHK2CYP2C9
SCHEMBL7857322 0.93 SPHK1 (0.41) SPHK1SPHK2CYP2C9
SCHEMBL9625148 0.91 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9625144 0.91 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9625107 0.90 SPHK1 (0.59) SPHK1SPHK2LPLLIPG
SCHEMBL9625111 0.90 SPHK1 (0.59) SPHK1SPHK2LPLLIPG
SCHEMBL9624512 0.89 SPHK1 (0.62) 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-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 EP disclosed