SCHEMBL95491

SCHEMBL95491

CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2C(=O)O)c(OC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AR P10275 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
ESRRG P62508 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL173043 0.88 ESR1 (0.50) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL13473211 0.83 ESR1 (0.45) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL13917741 0.83 ESR1 (0.45) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL95390 0.82 POLB (0.47) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL24952432 0.80 ESR1 (0.42) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL13451844 0.79 ESR1 (0.41) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL94806 0.77 KDM4E (0.42) ESR1CYP3A4HPGDHSD17B10ALDH1A1
SCHEMBL19318213 0.77 APP (0.38) HPGDHSD17B10TSHRALDH1A1KDM4E
SCHEMBL13376147 0.77 KDM4E (0.42) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL13979486 0.76 TSHR (0.47) ESR1ESR2CYP3A4HPGDHSD17B10

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
US-20120245263-A1 FLAME-RETARDANT AROMATIC POLYCARBONATE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2012-09-27 US disclosed
US-20120059098-A1 FLAME-RETARDANT AROMATIC POLYCARBONATE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2012-03-08 US disclosed
US-20120059099-A1 FLAME-RETARDANT AROMATIC POLYCARBONATE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2012-03-08 US disclosed