SCHEMBL7774227

SCHEMBL7774227

CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.77
ESR2 Q92731 10/20 0.77
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KEAP1 Q14145 1/20 0.46
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
ESRRG P62508 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SHBG P04278 1/20 0.42
IDH1 O75874 1/20 0.41

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
SCHEMBL3649608 0.92 MEN1 (0.66) ESR1ESR2CYP3A4ALDH1A1MEN1
SCHEMBL4798735 0.89 ESR1 (0.77) ESR1ESR2CYP3A4ALDH1A1MEN1
SCHEMBL27277 0.88 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1MEN1
SCHEMBL8031149 0.88 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1MEN1
Methane SCHEMBL16667289 0.86 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1MEN1
Phenol SCHEMBL29851136 0.86 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1MEN1
SCHEMBL14666793 0.85 ESR1 (0.61) ESR1ESR2CYP3A4ALDH1A1MEN1
SCHEMBL25805280 0.85 MEN1 (0.58) ESR1ESR2CYP3A4ALDH1A1MEN1
Phenol SCHEMBL8987629 0.83 ESR1 (0.91) ESR1ESR2CYP3A4ALDH1A1MEN1
SCHEMBL23059478 0.82 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1MEN1

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-0491550-B1 Water-emulsifiable epoxy resin composition DOW CHEMICAL CO (US) 2001-08-22 EP disclosed
EP-0491550-A2 Water-emulsifiable epoxy resin composition THE DOW CHEMICAL COMPANY (US) 1992-06-24 EP disclosed