SCHEMBL13376147

SCHEMBL13376147

CC(C)(C)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c(C(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
AR P10275 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR6 P50406 1/20 0.40
ESRRG P62508 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL95390 0.94 POLB (0.47) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL18900422 0.88 POLB (0.39) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL173043 0.87 ESR1 (0.50) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL23617418 0.85 KDM4E (0.40) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL13917741 0.82 ESR1 (0.45) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL13473211 0.82 ESR1 (0.45) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL9677329 0.81 MEN1 (0.49) KDM4EPOLBESR1CYP3A4HSD17B10
SCHEMBL1129826 0.81 KDM4E (0.51) KDM4EPOLBESR1ESR2CYP3A4
SCHEMBL28427163 0.80 POLB (0.47) KDM4EPOLBCYP3A4HPGDTSHR
SCHEMBL13452153 0.80 SCN9A (0.37) KDM4EPOLBESR1ESR2CYP3A4

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
EP-2174970-A1 POLYCARBONATE RESIN AND METHOD FOR PRODUCING THE SAME Mitsubishi Chemical Corporation (JP) 2010-04-14 EP disclosed