SCHEMBL11225969

SCHEMBL11225969

CC(C)(c1ccc(O)cc1)c1ccc(OO)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.70
ESR1 P03372 7/20 0.70
CYP3A4 P08684 2/20 0.70
AR P10275 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
HTR6 P50406 1/20 0.70
ESRRG P62508 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
LTA4H P09960 3/20 0.45
SHBG P04278 1/20 0.42

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
SCHEMBL19428440 0.91 HPGD (0.52) ESR2ESR1CYP3A4ARHPGD
SCHEMBL4450783 0.89 ESR1 (0.73) ESR2ESR1CYP3A4ARHPGD
SCHEMBL10865719 0.89 ESR1 (0.73) ESR2ESR1CYP3A4ARHPGD
SCHEMBL13254235 0.84 ESR1 (0.46) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL8058731 0.83 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL3170263 0.83 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
SCHEMBL27996 0.83 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
Bisphenol A SCHEMBL9774987 0.83 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD
SCHEMBL21360606 0.83 ESR1 (0.64) ESR2ESR1CYP3A4ARHPGD
SCHEMBL15868669 0.83 ESR1 (1.00) ESR2ESR1CYP3A4ARHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567065-A1 PREPARATION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP Korea Institute Of Industrial Technology (KR) 2019-11-13 EP disclosed
US-9783655-B2 NOR-HALS compounds as flame retardants BASF SE (DE) 2017-10-10 US disclosed
US-20160229989-A1 NOR-HALS COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2016-08-11 US disclosed
US-4338422-A Preparation of polyesters and poly(ester-carbonates) by acidolysis of aromatic polycarbonates EASTMAN KODAK COMPANY (US) 1982-07-06 US disclosed