SCHEMBL7857320

SCHEMBL7857320

CCCc1ccc(/C(F)=C(/F)c2ccc(C3CCC(C=C(F)F)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
SPHK2 Q9NRA0 7/20 0.39
CYP2C9 P11712 1/20 0.37
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7857322 1.00 SPHK1 (0.41) SPHK1SPHK2CYP2C9THRBALDH1A1
SCHEMBL9625346 0.93 SPHK1 (0.46) SPHK1SPHK2CYP2C9
SCHEMBL9625349 0.93 SPHK1 (0.46) SPHK1SPHK2CYP2C9
SCHEMBL9626535 0.89 SPHK1 (0.43) SPHK1SPHK2CYP2C9
SCHEMBL9626542 0.89 SPHK1 (0.43) SPHK1SPHK2CYP2C9
SCHEMBL9625144 0.85 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9625148 0.85 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9625111 0.84 SPHK1 (0.59) SPHK1SPHK2ALDH1A1LMNA
SCHEMBL9625107 0.84 SPHK1 (0.59) SPHK1SPHK2ALDH1A1LMNA
SCHEMBL8455254 0.83 SPHK1 (0.43) SPHK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920405-B1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-07-11 EP disclosed
US-6207076-B1 HIGH ELASTIC CONSTANT RATIO, LOW VISCOSITY, WIDE NEMATIC PHASE TEMPERATURE RANGE, CHEMICAL STABILITY CHISSO CORPORATION (JP) 2001-03-27 US disclosed