SCHEMBL12199037

SCHEMBL12199037

C=C(CO)c1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.59
ESR2 Q92731 9/20 0.59
ESRRG P62508 4/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 2/20 0.59
AR P10275 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR6 P50406 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
SHBG P04278 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL10204706 0.84 MAPT (0.55) ESR1ESR2ESRRGCYP3A4HSD17B10
SCHEMBL8386480 0.79 ESR1 (0.67) ESR1ESR2ESRRGCYP3A4HSD17B10
SCHEMBL12199599 0.78 ESR1 (0.50) ESR1ESR2ESRRGCYP3A4HSD17B10
Bisphenol A SCHEMBL4231382 0.78 ESR1 (0.80) ESR1ESR2ESRRGCYP3A4HSD17B10
Bisphenol A SCHEMBL1557174 0.78 ESR1 (0.80) ESR1ESR2ESRRGCYP3A4HSD17B10
Bisphenol A SCHEMBL30041667 0.77 ESR1 (0.89) ESR1ESR2ESRRGCYP3A4HSD17B10
Bisphenol A SCHEMBL766397 0.77 ESR1 (0.89) ESR1ESR2ESRRGCYP3A4HSD17B10
SCHEMBL3419256 0.77 SHBG (0.53) ESR1ESR2ESRRGCYP3A4HSD17B10
SCHEMBL27996 0.77 ESR1 (1.00) ESR1ESR2ESRRGCYP3A4HSD17B10
Bisphenol A SCHEMBL3170263 0.77 ESR1 (1.00) ESR1ESR2ESRRGCYP3A4HSD17B10

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-2374832-A1 Addition curable self-adhesive silicone rubber composition Shin-Etsu Chemical Co., Ltd. (JP) 2011-10-12 EP disclosed