SCHEMBL3034152

SCHEMBL3034152

CC(C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.52
ESR2 Q92731 9/20 0.52
CYP3A4 P08684 3/20 0.52
TYR P14679 3/20 0.52
ESRRG P62508 3/20 0.52
LMNA P02545 1/20 0.52
AR P10275 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR6 P50406 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.50
BLM P54132 1/20 0.46
CHRM2 P08172 2/20 0.44
SHBG P04278 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL76790 0.98 ESR1 (0.54) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL9778285 0.91 ESR1 (0.63) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL13799683 0.90 ACHE (0.52) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL28079333 0.81 HDAC3 (0.59) ESR1ESR2CYP3A4TSHRALDH1A1
SCHEMBL28403846 0.81 SRD5A2 (0.54) TYRLMNATSHRALDH1A1HDAC3
SCHEMBL28732234 0.79 ESR1 (0.48) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL7067690 0.79 ESR1 (0.54) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL123500 0.79 ESR1 (0.54) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL1819260 0.79 ESR1 (0.54) ESR1ESR2CYP3A4TYRESRRG
SCHEMBL73063 0.78 HDAC3 (0.61) ESR1ESR2CYP3A4TSHRALDH1A1

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-8268953-B2 Polycarbonate containing plant-derived component and process for the preparation thereof TEIJIN LIMITED (JP) 2012-09-18 US disclosed
US-20100216914-A1 POLYCARBONATE CONTAINING PLANT-DERIVED COMPONENT AND PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 2010-08-26 US disclosed