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SCHEMBL1768448

SCHEMBL1768448

c1ccc(P(c2ccccc2)c2ccccc2-c2c(P(c3ccccc3)c3ccccc3)cccc2P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DRD1 P21728 2/20 0.42
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TOP1 P11387 1/20 0.31

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
SCHEMBL1768199 0.88 TDP1 (0.41) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL1768566 0.86 CYP3A4 (0.39) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL1768305 0.86 MYC (0.41) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL1768444 0.86 CYP3A4 (0.39) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL29593649 0.85 CYP3A4 (0.58) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL1120987 0.85 CYP3A4 (0.58) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL31059891 0.83 CYP3A4 (0.55) CYP3A4TDP1DRD1ESR1ESR2
Water SCHEMBL1131752 0.83 CYP3A4 (0.55) CYP3A4TDP1DRD1ESR1ESR2
Water SCHEMBL1131329 0.83 CYP3A4 (0.55) CYP3A4TDP1DRD1ESR1ESR2
Bromide SCHEMBL8660152 0.83 CYP3A4 (0.55) CYP3A4TDP1DRD1ESR1ESR2

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
WO-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 — — WO disclosed