SCHEMBL5531121

SCHEMBL5531121

C=CCOOc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
AR P10275 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
ESRRG P62508 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
GAA P10253 4/20 0.37
SHBG P04278 1/20 0.36
MGAM O43451 3/20 0.34

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
SCHEMBL1825311 0.84 ESR1 (0.53) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL1123840 0.80 ESR1 (0.57) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL1123616 0.78 ESR1 (0.53) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL5179757 0.77 ESR1 (0.44) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL11143073 0.77 ESR1 (0.44) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL9247296 0.76 ESR1 (0.52) ESR1ESR2HPGDTSHRCYP3A4
Bisphenol A SCHEMBL5179752 0.76 ESR1 (0.52) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL5025771 0.75 ESR2 (0.59) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL3807953 0.75 ESR1 (0.42) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL824168 0.74 CA12 (0.49) HPGDTSHRARALDH1A1SMN1; SMN2

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
US-20070255005-A1 Process for Producing Curable Resin Composition KANEKA BELGIUM N.V. (BE) 2007-11-01 US disclosed
EP-1767584-A1 PROCESS FOR PRODUCING CURABLE RESIN COMPOSITION Kaneka Corporation (JP) 2007-03-28 EP disclosed