Sugi Predict

Sugi Predict / Compounds / SCHEMBL8942050

SCHEMBL8942050

SCHEMBL8942050

CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 6/20 0.35
▸ FASN P49327 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL8942087 0.95 FASN (0.33) FPR2FASN
SCHEMBL8942055 0.95 FASN (0.34) FPR2FASNGRIN1GRIN2B
SCHEMBL8942066 0.94 FASN (0.32) FPR2FASN
SCHEMBL8941994 0.93 FASN (0.32) FPR2FASN
SCHEMBL8942176 0.93 FASN (0.32) FPR2FASN
SCHEMBL8942089 0.93 FASN (0.32) FPR2FASN
SCHEMBL8942270 0.93 FASN (0.32) FPR2FASN
SCHEMBL8942552 0.93 FPR2 (0.33) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8942428 0.92 FPR2 (0.33) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8943420 0.91 GABRA1 (0.36) FPR2GABRA1GABRB2HTR2CHTR2B

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