SCHEMBL8959330

SCHEMBL8959330

C/C=C/C1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
FASN P49327 1/20 0.33
FPR2 P25090 3/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
APP P05067 2/20 0.32
NAAA Q02083 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
DHODH Q02127 1/20 0.30
FGFR2 P21802 2/20 0.30
FGFR1 P11362 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
SCHEMBL8933414 0.97 KDM1A (0.39) KDM1AFASNFPR2CYP3A4CYP2C9
SCHEMBL8959331 0.93 FPR2 (0.34) KDM1AFASNFPR2CYP3A4CYP2C9
SCHEMBL8959335 0.92 PDE4A (0.32) KDM1AFASNFPR2CYP3A4CYP2C9
SCHEMBL8959339 0.92 FPR2 (0.32) FASNFPR2
SCHEMBL8964820 0.91 RARB (0.32) FASNFPR2
SCHEMBL8959349 0.91 RARB (0.32) FASNFPR2
SCHEMBL8959341 0.91 RARB (0.32) FASNFPR2
SCHEMBL8959395 0.91 RARB (0.32) FASNFPR2
SCHEMBL8959373 0.91 HTR2C (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL8933505 0.90 FPR2 (0.35) KDM1AFASNFPR2CYP3A4CYP2C9

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
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