SCHEMBL3190683

SCHEMBL3190683

CC(=CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.51
ESR2 Q92731 7/20 0.51
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ESRRG P62508 3/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SHBG P04278 1/20 0.38
BLM P54132 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.35

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
SCHEMBL2854910 0.81 PPARA (0.43) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL11744631 0.78 SMN1; SMN2 (0.48) CYP3A4ALDH1A1LMNAMEN1KMT2A
SCHEMBL11660280 0.76 LMNA (0.45) ALDH1A1LMNAARMEN1KMT2A
SCHEMBL5421635 0.75 CA2 (0.45) ESR1ESR2BLMSLC22A12AKR1C3
SCHEMBL9705010 0.75 ESR1 (0.53) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL5931186 0.74 ESR1 (0.52) ESR1ESR2CYP3A4ALDH1A1ESRRG
Bisphenol A SCHEMBL6984040 0.74 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1ESRRG
Bisphenol A SCHEMBL7457195 0.74 ESR1 (0.59) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL15301197 0.71 NR1H4 (0.43) ESRRGLMNATSHR
SCHEMBL3190670 0.71 ESR1 (0.41) ESR1ESR2CYP3A4ALDH1A1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed
US-7666328-B2 Comprising finely divided particles selected from noble metals, alloys of noble metals, refractory glass compositions, organic medium comprising ethyl cellulose, additional inorganic binder selected from metal oxides, non-oxide borides, non-oxide silicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-23 US disclosed
EP-1788616-A2 Thick film conductor compositions and processing technology thereof for use in multilayer electronic circuits and devices E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-05-23 EP disclosed