SCHEMBL11063757

SCHEMBL11063757

CC(Cc1cc(O)ccc1O)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
TYR P14679 3/20 0.40
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 2/20 0.38
KEAP1 Q14145 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LCK P06239 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4289027 0.86 TYR (0.46) GABRA1GABRB2TYREGFR
SCHEMBL30455902 0.84 TSHR (0.64) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL188373 0.84 TSHR (0.64) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL11193682 0.81 TYR (0.49) GABRA1GABRB2TYREGFRALDH1A1
SCHEMBL19901986 0.80 ESR1 (0.44) GABRA1GABRB2TYREGFR
SCHEMBL10617353 0.78 TSHR (0.55) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL19902021 0.77 ESR1 (0.58) GABRA1GABRB2TYREGFRALDH1A1
SCHEMBL7210624 0.77 TSHR (0.60) TSHRGABRA1GABRB2POLBMAPK1
Cyanate SCHEMBL30468613 0.77 TSHR (0.55) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL5877825 0.76 GABRA1 (0.68) GABRA1GABRB2TYRPOLBMAPK1

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
US-4447655-A Purification of bisphenol-A GENERAL ELECTRIC COMPANY (US) 1984-05-08 US disclosed