Sugi Predict

Sugi Predict / Compounds / SCHEMBL17150359

SCHEMBL17150359

SCHEMBL17150359

CC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(F)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ESR2 Q92731 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
SCHEMBL17147718 1.00 FASN (0.35) FASNGRM2ALOX5APFEN1CYP3A4
SCHEMBL12625006 0.94 FASN (0.35) FASNGRM2ALOX5APFEN1CYP3A4
SCHEMBL10259807 0.90 FASN (0.41) FASNGRM2CYP3A4CYP2C9APP
SCHEMBL2741554 0.90 FASN (0.37) FASNGRM2CYP3A4CYP2C9APP
SCHEMBL10259473 0.90 FASN (0.41) FASNGRM2CYP3A4CYP2C9APP
SCHEMBL16978434 0.90 CYP3A4 (0.38) GRM2ALOX5APFEN1CYP3A4CYP2C9
SCHEMBL17147784 0.90 CYP3A4 (0.35) GRM2ALOX5APFEN1CYP3A4CYP2C9
SCHEMBL12895683 0.89 ESR2 (0.33) ESR2
SCHEMBL12625790 0.88 FASN (0.38) FASNGRM2ALOX5APFEN1CYP3A4
SCHEMBL12895681 0.87 FASN (0.36) FASNGRM2ALOX5APFEN1CYP3A4

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-20150284636-A1 LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-10-08 — — US disclosed