SCHEMBL20803667

SCHEMBL20803667

C=CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 6/20 0.41
▸ GABRB2 P47870 6/20 0.41
▸ CALM1 P0DP23 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL20803590 0.99 GABRA1 (0.41) GABRA1GABRB2CALM1CNR2FFAR4
SCHEMBL20803725 0.96 GABRA1 (0.43) GABRA1GABRB2CALM1CNR2FFAR4
SCHEMBL20803703 0.95 GABRA1 (0.42) GABRA1GABRB2CNR2FFAR4NAAA
SCHEMBL20803630 0.95 GABRA1 (0.42) GABRA1GABRB2CNR2FFAR4NAAA
SCHEMBL20803631 0.95 GABRA1 (0.42) GABRA1GABRB2CNR2FFAR4NAAA
SCHEMBL20803718 0.94 GABRA1 (0.41) GABRA1GABRB2CALM1CNR2FFAR4
SCHEMBL20803650 0.94 GABRA1 (0.39) GABRA1GABRB2CALM1CNR2FFAR4
SCHEMBL20803603 0.94 GABRA1 (0.39) GABRA1GABRB2CALM1CNR2FFAR4
SCHEMBL20803683 0.93 GABRA1 (0.40) GABRA1GABRB2CNR2FFAR4NAAA
SCHEMBL20803652 0.92 GABRA1 (0.40) GABRA1GABRB2CALM1CNR2FFAR4

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-10533136-B2 Liquid crystalline compound having fluorobiphenyl group and negative dielectric anisotropy, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2020-01-14 — — US disclosed
US-20190078020-A1 LIQUID CRYSTALLINE COMPOUND HAVING FLUOROBIPHENYL GROUP AND NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-03-14 — — US disclosed
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