SCHEMBL30567643

SCHEMBL30567643

Cc1cc(C(C)(C(=O)O)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.61
ESR2 Q92731 7/20 0.56
AR P10275 3/20 0.52
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
VDR P11473 1/20 0.43
ESRRG P62508 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE10A Q9Y233 1/20 0.42
SIRT1 Q96EB6 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
SCHEMBL31011016 1.00 ESR1 (0.61) ESR1ESR2ARTDP1TP53
SCHEMBL4204668 1.00 ESR1 (0.61) ESR1ESR2ARTDP1TP53
SCHEMBL27965746 0.93 ESR1 (0.64) ESR1ESR2ARTDP1TP53
SCHEMBL16189491 0.84 ESR1 (0.61) ESR1ESR2ARTDP1TP53
SCHEMBL10001972 0.83 CES2 (0.42) ESR1ESR2TDP1ALDH1A1
SCHEMBL31144813 0.81 ALDH1A1 (0.63) ESR1ESR2ARTDP1ALDH1A1
SCHEMBL11687158 0.81 ALDH1A1 (0.52) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28041043 0.79 ALDH1A1 (0.52) ESR1ESR2TDP1ALDH1A1HPGD
SCHEMBL31174037 0.79 ESR1 (0.55) ESR1ESR2ARTDP1TP53
SCHEMBL3290860 0.78 ESR1 (0.77) ESR1ESR2ARTDP1TP53

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
CN-116917396-A Stabilizer composition for silyl modified polymer sealants 科莱恩国际有限公司 2023-10-20 CN disclosed