SCHEMBL9385331

SCHEMBL9385331

N[C@@H](Cc1cc(O)c(O)cc1Br)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.71
KDM4E B2RXH2 4/20 0.71
USP2 O75604 3/20 0.71
HSD17B10 Q99714 3/20 0.71
HIF1A Q16665 3/20 0.71
LMNA P02545 3/20 0.71
MAPT P10636 3/20 0.71
BLM P54132 3/20 0.71
PMP22 Q01453 3/20 0.71
KMT2A Q03164 3/20 0.71
RECQL P46063 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
CYP3A4 P08684 2/20 0.71
NFKB1 P19838 2/20 0.71
ALDH1A1 P00352 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
PKM P14618 2/20 0.71
MEN1 O00255 2/20 0.71
THRB P10828 2/20 0.71
RGS12 O14924 1/20 0.71

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
SCHEMBL9385328 1.00 ALOX15 (0.71) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL5320012 0.91 ALOX15 (0.59) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL5320010 0.91 ALOX15 (0.59) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL503251 0.83 KDM4E (1.00) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL594845 0.83 KDM4E (1.00) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL29429782 0.83 KDM4E (1.00) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL28961216 0.81 USP2 (0.54) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL5280931 0.81 KDM4E (0.64) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL7279644 0.80 ALOX15 (0.73) ALOX15KDM4EUSP2HSD17B10HIF1A
SCHEMBL7279651 0.80 ALOX15 (0.73) ALOX15KDM4EUSP2HSD17B10HIF1A

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-1994003432-A1 POLYHYDROXYLATED NAPHTHYL 2-CARBOXYLATE, AND QUINOLYL AND ISOQUINOLYL 3-CARBOXYLATE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-17 WO disclosed