SCHEMBL7902425

SCHEMBL7902425

CCCCc1ccc(CCc2ccc(C3CCC(C4CCC(CCF)CC4)CC3)cc2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.38
S1PR1 P21453 1/20 0.36
CYP2C9 P11712 1/20 0.34
SPHK2 Q9NRA0 7/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL7902429 1.00 SPHK1 (0.38) SPHK1S1PR1CYP2C9SPHK2ALDH1A1
SCHEMBL7902421 1.00 SPHK1 (0.38) SPHK1S1PR1CYP2C9SPHK2ALDH1A1
SCHEMBL10043312 0.83 SPHK1 (0.39) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL9399567 0.82 SPHK1 (0.49) SPHK1S1PR1SPHK2HTR2A
SCHEMBL10043110 0.81 SPHK1 (0.39) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL10043313 0.81 SPHK1 (0.39) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL10043111 0.81 SPHK1 (0.41) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL10043311 0.81 SPHK1 (0.41) SPHK1CYP2C9SPHK2ALDH1A1LMNA
SCHEMBL13636733 0.80 CYP2C9 (0.39) SPHK1S1PR1CYP2C9ALDH1A1LMNA
SCHEMBL7912856 0.80 CYP2C9 (0.35) SPHK1CYP2C9ALDH1A1LMNAMAPT

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
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed