SCHEMBL6274502

SCHEMBL6274502

CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCCCC)c(C(C)C)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.50
▸ NR5A1 Q13285 1/20 0.47
▸ PTPN11 Q06124 3/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL30096973 0.91 PTPN11 (0.47) PTPN11CYP3A4PTPN1PTPN6CYP1A2
SCHEMBL27782326 0.84 CYP3A4 (0.42) RARBCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL12972530 0.81 RARB (0.54) RARBNR5A1PTPN11CYP3A4CYP2D6
SCHEMBL28583571 0.80 MEN1 (0.49) RARBNR5A1CYP3A4CYP1A2CYP2C9
SCHEMBL10339089 0.79 RARB (0.53) RARBNR5A1PTPN11CYP3A4CYP2D6
SCHEMBL9152857 0.79 RARB (0.53) RARBNR5A1PTPN11CYP3A4CYP2D6
SCHEMBL7775244 0.79 RARB (0.71) RARBNR5A1CYP3A4CYP2D6CYP1A2
SCHEMBL9154372 0.79 RARB (0.71) RARBNR5A1CYP3A4CYP2D6CYP1A2
SCHEMBL9155028 0.79 RARB (0.71) RARBNR5A1CYP3A4CYP2D6CYP1A2
SCHEMBL9154663 0.79 RARB (0.71) RARBNR5A1CYP3A4CYP2D6CYP1A2

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
JP-2005082569-A NEW 4,4''-DIALKOXY-p-TERPHENYLS HONSHU CHEM IND CO LTD 2005-03-31 — — JP disclosed
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