SCHEMBL8939605

SCHEMBL8939605

CCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
KDM1A O60341 2/20 0.32
FPR2 P25090 3/20 0.32
RARB P10826 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL8939716 0.99 FASN (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939607 0.99 FASN (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939617 0.99 FASN (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939604 0.99 FASN (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939598 0.97 FASN (0.34) FASNKDM1AFPR2PPARD
SCHEMBL8939732 0.96 KDM1A (0.32) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939911 0.95 RARB (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939913 0.95 RARB (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939771 0.95 RARB (0.33) FASNKDM1AFPR2RARBPPARD
SCHEMBL8939904 0.95 RARB (0.33) FASNKDM1AFPR2RARBPPARD

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 1 patent. 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