SCHEMBL21140295

SCHEMBL21140295

CCCCCCC(NC/C(=C/c1ccc(O)cc1)C(C)=O)C(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 2/20 0.47
▸ ALOX5 P09917 5/20 0.44
▸ ABCB1 P08183 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SRC P12931 3/20 0.41
▸ POLH Q9Y253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41

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
SCHEMBL21139371 0.84 NOX4 (0.49) NOX4ALOX5ABCB1MEN1KMT2A
SCHEMBL28598612 0.76 NOX4 (0.64) NOX4ALOX5ABCB1MEN1KMT2A
Quercetin SCHEMBL22076795 0.70 MEN1 (0.67) NOX4ALOX5ABCB1MEN1KMT2A
SCHEMBL22098766 0.67 XDH (0.56) NOX4ALOX5ABCB1MEN1KMT2A
Quercetin SCHEMBL28192239 0.67 MEN1 (0.69) NOX4ALOX5ABCB1MEN1KMT2A
Quercetin SCHEMBL7182490 0.67 MEN1 (0.69) NOX4ALOX5ABCB1MEN1KMT2A
Quercetin SCHEMBL28192839 0.67 MEN1 (0.69) NOX4ALOX5ABCB1MEN1KMT2A
Quercetin SCHEMBL925101 0.67 MEN1 (0.69) NOX4ALOX5ABCB1MEN1KMT2A
SCHEMBL890990 0.67 NOX4 (1.00) NOX4ALOX5ABCB1MEN1KMT2A
SCHEMBL31408172 0.67 NOX4 (1.00) NOX4ALOX5ABCB1MEN1KMT2A

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
WO-2019111265-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SHARE GAL RESEARCH AND DEVELOPMENT LTD (IL) 2019-06-13 — — WO disclosed
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