SCHEMBL10302155

SCHEMBL10302155

CCCCc1ccc(C2CCC(CCc3ccc(CC)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
OPRL1 P41146 14/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 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
SCHEMBL10302158 0.93 S1PR1 (0.33) S1PR1OPRL1HTR2AHTR2C
SCHEMBL10302154 0.93 OPRL1 (0.33) OPRL1HTR2AHTR2C
SCHEMBL10302127 0.91 HTR2A (0.34) S1PR1OPRL1HTR2AHTR2C
SCHEMBL12739702 0.91 S1PR1 (0.34) S1PR1OPRL1HTR2AHTR2C
SCHEMBL12739701 0.91 CYP2C9 (0.35) OPRL1HTR2AHTR2C
SCHEMBL12739698 0.90 S1PR1 (0.35) S1PR1OPRL1HTR2AHTR2C
SCHEMBL10302157 0.89 HTR2A (0.35) S1PR1OPRL1HTR2AHTR2C
SCHEMBL10302131 0.88 S1PR1 (0.36) S1PR1OPRL1HTR2AHTR2C
SCHEMBL12739704 0.88 S1PR1 (0.37) S1PR1OPRL1HTR2AHTR2C
SCHEMBL10302102 0.88 OPRL1 (0.37) S1PR1OPRL1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 WO disclosed