SCHEMBL8944435

SCHEMBL8944435

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
FPR2 P25090 10/20 0.36
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
FASN P49327 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
NAAA Q02083 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
SCHEMBL8944426 0.93 GABRA1 (0.39) KDM1AFPR2GABRA1GABRB2HTR2C
SCHEMBL8944456 0.93 HTR2C (0.35) FPR2HTR2CHTR2B
SCHEMBL18718723 0.93 KDM1A (0.38) KDM1AFPR2HTR2CHTR2B
SCHEMBL12024011 0.93 KDM1A (0.38) KDM1AFPR2HTR2CHTR2B
SCHEMBL13579235 0.93 FPR2 (0.36) KDM1AFPR2GABRA1GABRB2HTR2C
SCHEMBL8944039 0.93 CNR2 (0.36) FPR2GABRA1GABRB2
SCHEMBL13579331 0.92 FPR2 (0.35) KDM1AFPR2GABRA1GABRB2HTR2C
SCHEMBL12023966 0.92 FPR2 (0.35) KDM1AFPR2GABRA1GABRB2HTR2C
SCHEMBL8944070 0.92 GABRA1 (0.36) FPR2GABRA1GABRB2
SCHEMBL12999948 0.91 FPR2 (0.30) FPR2

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