SCHEMBL8939733

SCHEMBL8939733

CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.35
FASN P49327 1/20 0.35
KDM1A O60341 2/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR2A P28223 1/20 0.30
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
SCHEMBL8939598 0.95 FASN (0.34) FPR2FASNKDM1AGRIN1GRIN2B
SCHEMBL8939579 0.95 KDM1A (0.37) FPR2FASNKDM1AGRIN1GRIN2B
SCHEMBL8939605 0.94 FASN (0.34) FPR2FASNKDM1A
SCHEMBL8939735 0.94 FPR2 (0.33) FPR2FASNKDM1A
SCHEMBL8939607 0.94 FASN (0.33) FPR2FASNKDM1A
SCHEMBL8939604 0.94 FASN (0.33) FPR2FASNKDM1A
SCHEMBL8939617 0.94 FASN (0.33) FPR2FASNKDM1A
SCHEMBL8939716 0.94 FASN (0.33) FPR2FASNKDM1A
SCHEMBL18718523 0.93 KDM1A (0.35) FPR2FASNKDM1AHTR2CHTR2B
SCHEMBL8939895 0.93 FPR2 (0.33) FPR2KDM1A

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