SCHEMBL20762854

SCHEMBL20762854

C=CC(=O)CCCOc1ccc(-c2cc(-c3cc(-c4ccc(CCCOC(=O)C=C)cc4)c(C(F)(F)F)cc3C(F)(F)F)c(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 11/20 0.43
▸ THRB P10828 2/20 0.40
▸ FFAR1 O14842 8/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 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
SCHEMBL20762716 0.99 FFAR4 (0.43) FFAR4THRBFFAR1CYP2C9SCN5A
SCHEMBL20762850 0.88 TSHR (0.40) FFAR4THRBCYP3A4S1PR1
SCHEMBL20763167 0.82 TSHR (0.35) FFAR4THRBCYP3A4S1PR1
SCHEMBL20762866 0.81 TSHR (0.34) THRBCYP3A4S1PR1
SCHEMBL20762680 0.80 TSHR (0.41) FFAR4THRBCYP3A4
SCHEMBL20763225 0.80 THRB (0.39) THRBMEN1KMT2ACYP3A4
SCHEMBL20763399 0.79 TSHR (0.40) FFAR4THRBCYP3A4
SCHEMBL20762852 0.76 THRB (0.38) FFAR4THRBFFAR1CYP3A4
SCHEMBL8031169 0.75 THRB (0.62) THRBFFAR1CYP3A4S1PR1S1PR3
SCHEMBL20762909 0.75 RXRA (0.39) THRBCYP3A4

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-20190056676-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE EACH INCLUDING THE ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2019-02-21 — — US disclosed
Send feedback