SCHEMBL9625010

SCHEMBL9625010

CCCCOC1CCC(c2ccc(C=C(F)F)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.35
S1PR1 P21453 7/20 0.34
SGPL1 O95470 6/20 0.34
RAB9A P51151 1/20 0.33
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL9625016 1.00 HCRTR2 (0.35) HCRTR2S1PR1SGPL1RAB9ALIPC
SCHEMBL10547166 0.96 S1PR1 (0.35) HCRTR2S1PR1SGPL1
SCHEMBL10547179 0.96 S1PR1 (0.35) HCRTR2S1PR1SGPL1
SCHEMBL9624409 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1
SCHEMBL9625677 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1
SCHEMBL10544190 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1
SCHEMBL10543894 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1
SCHEMBL9625449 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1
SCHEMBL9626176 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1
SCHEMBL9625681 0.95 S1PR1 (0.36) HCRTR2S1PR1SGPL1

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