SCHEMBL28040773

SCHEMBL28040773

C=C(Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.69
POLH Q9Y253 7/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 4/20 0.68
POLB P06746 4/20 0.68
GAA P10253 4/20 0.68
RECQL P46063 3/20 0.68
HSD17B10 Q99714 3/20 0.68
MAPT P10636 3/20 0.68
MMP1 P03956 2/20 0.68
APEX1 P27695 2/20 0.68
BLM P54132 2/20 0.68
HTT P42858 1/20 0.68
SRC P12931 5/20 0.61
CYP3A4 P08684 3/20 0.61
NOX4 Q9NPH5 2/20 0.61
USP2 O75604 2/20 0.61
TP53 P04637 2/20 0.61
CYP1A2 P05177 2/20 0.61

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
SCHEMBL11298140 0.86 POLH (0.70) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL31236662 0.85 POLH (0.76) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL7940707 0.85 EPHX2 (0.72) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL4175201 0.85 POLH (0.76) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL4170634 0.84 POLH (0.74) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL27914721 0.83 EPHX2 (0.80) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL14786208 0.83 POLH (0.81) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL23442126 0.83 EPHX2 (0.88) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL23442030 0.83 EPHX2 (0.88) EPHX2POLHMEN1KMT2AKDM4E
SCHEMBL23442263 0.83 EPHX2 (0.79) EPHX2POLHMEN1KMT2AKDM4E

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
CN-111073363-A Water-based antirust high-temperature-resistant coating and preparation method thereof 沈阳顺风新材料有限公司 2020-04-28 CN claimed
CN-111073363-A Water-based antirust high-temperature-resistant coating and preparation method thereof 沈阳顺风新材料有限公司 2020-04-28 CN disclosed
CN-102659735-B quercetin-3-O-acyl ester and preparation method thereof ZHENGZHOU UNIVERSITY (CN) 2015-11-25 CN disclosed