Bisphenol A

Bisphenol A

SCHEMBL9703935

CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.OCC1CO1.OCC1CO1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.57
ESR2 Q92731 10/20 0.57
HPGD P15428 3/20 0.57
TSHR P16473 3/20 0.57
CYP3A4 P08684 3/20 0.57
AR P10275 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR6 P50406 1/20 0.57
ESRRG P62508 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
HIF1A Q16665 1/20 0.51

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
Glycidol SCHEMBL20637749 0.89 ESR1 (0.50) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL442235 0.84 ESR1 (0.55) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL16655607 0.83 TSHR (0.61) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL50024 0.83 TSHR (0.61) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL156686 0.81 ESR1 (0.67) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL1068446 0.80 ESR1 (0.50) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL1682904 0.80 ESR1 (0.50) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL156685 0.79 ALDH1A1 (0.85) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL12990280 0.79 ALDH1A1 (0.85) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL12989580 0.79 ALDH1A1 (0.85) ESR1ESR2HPGDTSHRCYP3A4

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
EP-0476519-A1 Photopolymerisable composition and recording material produced therefrom MORTON INTERNATIONAL, INC. (US) 1992-03-25 EP disclosed