SCHEMBL9624936

SCHEMBL9624936

CCCCCCOC1CCC(c2ccc(C=C(F)F)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
SGPL1 O95470 5/20 0.36
SPHK1 Q9NYA1 7/20 0.34
HCRTR2 O43614 3/20 0.34
SPHK2 Q9NRA0 3/20 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
SCHEMBL9624402 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL10543894 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9625524 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9625449 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9624409 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9625681 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL10544190 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9626176 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9625677 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2
SCHEMBL9624953 1.00 S1PR1 (0.36) S1PR1SGPL1SPHK1HCRTR2SPHK2

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