SCHEMBL28229331

SCHEMBL28229331

O=C([O-])COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O.[H+]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 8/20 0.72
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ POLB P06746 3/20 0.67
▸ GAA P10253 3/20 0.67
▸ RECQL P46063 3/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ MMP1 P03956 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ APEX1 P27695 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ HTT P42858 1/20 0.67
▸ EPHX2 P34913 2/20 0.61
▸ NOX4 Q9NPH5 3/20 0.60
▸ USP2 O75604 2/20 0.60
▸ TP53 P04637 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60

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
SCHEMBL28067122 0.89 POLH (0.76) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL6013618 0.84 POLH (0.72) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL7202826 0.84 POLH (1.00) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL7914456 0.84 POLH (0.79) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL10728956 0.84 POLH (1.00) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL27140476 0.83 POLH (0.80) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL30728552 0.83 POLH (0.80) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL14786208 0.82 POLH (0.81) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL25304942 0.82 POLH (1.00) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL30663836 0.82 POLH (1.00) POLHMEN1KMT2AKDM4EPOLB

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-108366597-A Mixture of substances 西姆莱斯有限公司 2018-08-03 — — CN claimed
Send feedback