SCHEMBL4453506

SCHEMBL4453506

C[CH]C(C)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.56
ESR2 Q92731 11/20 0.56
CYP3A4 P08684 5/20 0.56
LMNA P02545 3/20 0.56
HSD17B10 Q99714 3/20 0.56
TYR P14679 2/20 0.56
HPGD P15428 2/20 0.56
AR P10275 1/20 0.56
TSHR P16473 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR6 P50406 1/20 0.56
ESRRG P62508 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ALDH1A1 P00352 3/20 0.48
SHBG P04278 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 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
SCHEMBL8763187 0.81 ESR1 (0.52) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL21701236 0.80 ESR1 (0.56) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL14255700 0.78 ESR1 (0.54) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL30151442 0.76 ESR1 (0.52) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL678367 0.74 ESR1 (0.62) ESR1ESR2CYP3A4LMNAHSD17B10
Bisphenol A SCHEMBL599110 0.73 ESR1 (0.76) ESR1ESR2CYP3A4LMNAHSD17B10
Bisphenol A SCHEMBL1518029 0.73 ESR1 (0.76) ESR1ESR2CYP3A4LMNAHSD17B10
Acetaldehyde SCHEMBL3681240 0.73 LMNA (0.76) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL677795 0.73 ESR1 (0.68) ESR1ESR2CYP3A4LMNAHSD17B10
Bisphenol A SCHEMBL15062 0.73 ESR1 (1.00) ESR1ESR2CYP3A4LMNAHSD17B10

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
EP-1776145-B1 METHODS OF STERILIZING POLYCARBONATE ARTICLES SABIC INNOVATIVE PLASTICS IP (NL) 2009-03-11 EP claimed
US-20190022956-A1 APPARATUS COMPRISING A PLURALITY OF JOINING DEVICES FOR PRODUCING SEMIFINISHED SHEETINGS AND PROCESS FOR PRODUCING THESE SEMIFINISHED SHEETINGS COVESTRO DEUTSCHLAND AG (DE) 2019-01-24 US disclosed