SCHEMBL20803602

SCHEMBL20803602

C=CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
S1PR1 P21453 1/20 0.38
PPARD Q03181 4/20 0.37
FFAR1 O14842 4/20 0.37
CYP17A1 P05093 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CNR2 P34972 1/20 0.35
KDM1A O60341 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL20803720 0.94 GABRA1 (0.40) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803603 0.93 GABRA1 (0.39) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803587 0.93 CYP17A1 (0.41) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803629 0.93 CYP17A1 (0.41) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803619 0.91 NAAA (0.45) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803598 0.88 GABRA1 (0.40) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803657 0.87 FFAR1 (0.47) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803630 0.87 GABRA1 (0.42) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803631 0.87 GABRA1 (0.42) NAAAGABRA1GABRB2S1PR1PPARD
SCHEMBL20803683 0.87 GABRA1 (0.40) NAAAGABRA1GABRB2S1PR1PPARD

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