SCHEMBL21139371

SCHEMBL21139371

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 2/20 0.49
▸ ALOX5 P09917 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SRC P12931 4/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP1A1 P04798 3/20 0.44
▸ CYP1B1 Q16678 3/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ HIF1A Q16665 2/20 0.44

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
SCHEMBL21140295 0.84 NOX4 (0.47) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL21139363 0.79 MEN1 (0.51) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL21139364 0.79 SRC (0.56) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL28598612 0.78 NOX4 (0.64) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL21139370 0.76 MEN1 (0.55) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL21139361 0.74 SRC (0.54) NOX4ALOX5MEN1KMT2ASRC
Quercetin SCHEMBL22076795 0.74 MEN1 (0.67) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL21140296 0.72 ESR1 (0.44) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Curcumin SCHEMBL21049944 0.71 MEN1 (0.62) NOX4ALOX5MEN1KMT2ASRC
SCHEMBL21139389 0.71 MEN1 (0.54) NOX4ALOX5MEN1KMT2ASRC

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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