Bisphenol A

Bisphenol A

SCHEMBL3155552

CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Nc1cc(N)cc(C(=O)O)c1.Nc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.47
▸ ESR2 Q92731 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ ESRRG P62508 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CA3 P07451 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ AR P10275 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TYR P14679 1/20 0.47
▸ DRD1 P21728 1/20 0.47

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
Bisphenol A SCHEMBL1683933 0.92 ESR1 (0.55) ESR1ESR2CYP3A4ESRRGHSD17B10
SCHEMBL9003755 0.86 SRD5A2 (0.55) ESRRGTSHRALDH1A1RXRARXRB
Bisphenol A SCHEMBL2854094 0.84 ESR1 (0.67) ESR1ESR2CYP3A4ESRRGHSD17B10
SCHEMBL4348947 0.84 ESR1 (0.67) ESR1ESR2CYP3A4ESRRGHSD17B10
Bisphenol A SCHEMBL11427584 0.82 ESR1 (0.64) ESR1ESR2CYP3A4ESRRGHSD17B10
Bisphenol A SCHEMBL17889902 0.82 ESR1 (0.64) ESR1ESR2CYP3A4ESRRGHSD17B10
SCHEMBL3155549 0.81 NR1H4 (0.52) CYP3A4ALDH1A1RXRARXRBSRD5A2
Terephthalic Acid SCHEMBL31416074 0.79 CA3 (0.76) ESR1ESR2CYP3A4HSD17B10CA3
Aminobenzoic Acid SCHEMBL11378046 0.79 CA3 (0.76) ESR1ESR2CYP3A4HSD17B10CA3
SCHEMBL134579 0.79 ESR1 (0.76) ESR1ESR2CYP3A4ESRRGHSD17B10

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-8754186-B2 Polyimide precursor composition, use thereof and production method thereof KANEKA CORPORATION (JP) 2014-06-17 — — US disclosed
US-20100084171-A1 NOVEL POLYIMIDE PRECURSOR COMPOSITION, USE THEREOF AND PRODUCTION METHOD THEREOF KANEKA CORPORATION (JP) 2010-04-08 — — US disclosed
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