SCHEMBL14019083

SCHEMBL14019083

COc1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1-c1c(OC)ccc2cc(-c3cc4ccccc4c4ccccc34)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ NQO1 P15559 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GPR84 Q9NQS5 4/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ ACACA Q13085 1/20 0.43

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
SCHEMBL14019090 0.94 MAPT (0.58) MAPTNQO1ERN1CYP1A2CYP3A4
SCHEMBL14019081 0.86 MAPT (0.68) MAPTNQO1ERN1CYP1A2CYP3A4
SCHEMBL14019086 0.83 MAPT (0.64) MAPTNQO1ERN1CYP1A2CYP3A4
SCHEMBL14981161 0.81 MAPT (0.59) MAPTNQO1CYP1A2CYP3A4CYP2D6
SCHEMBL29445700 0.80 GPR84 (0.44) MAPTCYP11B1GPR84MEN1KMT2A
SCHEMBL30634847 0.80 GPR84 (0.44) MAPTCYP11B1GPR84MEN1KMT2A
SCHEMBL20774067 0.80 GPR84 (0.44) MAPTCYP11B1GPR84MEN1KMT2A
SCHEMBL14019096 0.80 MAPT (0.59) MAPTNQO1CYP1A2CYP3A4CYP2D6
SCHEMBL28270535 0.80 GSTP1 (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5428014 0.79 NQO1 (0.60) MAPTNQO1ERN1CYP1A2CYP3A4

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-7442447-B2 Binaphthol based chromophores for the fabrication of blue organic light emitting diodes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-28 — — US disclosed
US-7442447-B2 Binaphthol based chromophores for the fabrication of blue organic light emitting diodes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-28 — — US disclosed
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