SCHEMBL8960044

SCHEMBL8960044

CC/C=C/COc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8933853 0.97 CYP3A4 (0.32) FASNCYP3A4CYP2C9
SCHEMBL8960311 0.93 FASN (0.30) FASNCYP3A4CYP2C9
SCHEMBL8959075 0.90 PDE4A (0.32) FASNCYP3A4CYP2C9
SCHEMBL8934156 0.90 CYP3A4 (0.32) FASNCYP3A4CYP2C9
SCHEMBL8958831 0.90 KDM1A (0.36) FASNCYP3A4CYP2C9
SCHEMBL8959236 0.90 PDE4A (0.32) FASNCYP3A4CYP2C9
SCHEMBL8960088 0.90 CYP3A4 (0.31) FASNCYP3A4CYP2C9
SCHEMBL8959038 0.89 KDM1A (0.35) FASNCYP3A4CYP2C9
SCHEMBL8959007 0.89 PPARD (0.34) FASNCYP3A4CYP2C9
SCHEMBL8958840 0.89 PPARD (0.34) FASNCYP3A4CYP2C9

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed