SCHEMBL11062870

SCHEMBL11062870

COc1cc2c(O)c3ccccc3c(O)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.50
NQO1 P15559 1/20 0.50
TP53 P04637 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
PDPK1 O15530 1/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL11716407 0.81 EP300 (0.42) EP300NQO1TP53CA1CA2
SCHEMBL14280975 0.80 CA1 (0.55) EP300NQO1TP53CA1CA2
SCHEMBL10582613 0.80 EP300 (0.48) EP300NQO1TP53CA1CA2
SCHEMBL9627412 0.80 EP300 (0.48) EP300NQO1TP53CA1CA2
SCHEMBL8838773 0.78 MAPT (0.52) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL5172040 0.78 EP300 (0.47) EP300NQO1TP53CA1CA2
SCHEMBL7622167 0.78 EP300 (0.56) EP300NQO1TP53CA1CA2
SCHEMBL29700325 0.78 EP300 (0.67) EP300TP53CA1CA2TSHR
SCHEMBL9054405 0.78 EP300 (0.67) EP300TP53CA1CA2TSHR
SCHEMBL6572943 0.77 HTT (0.59) EP300NQO1TP53CA1CA2

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-4444861-A POLYESTER FROM 2,6-DIMETHOXY-9,10-ANTHRACENEDIOL AND AN A,W-DICARBOXYLIC ACID ASHAI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-04-24 US disclosed
EP-0082011-A1 Sensitive article for electrophotography Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-06-22 EP disclosed