SCHEMBL31233136

SCHEMBL31233136

COc1ccccc1C(=O)/C=C/c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.76
MAOB P27338 2/20 0.74
PTGS1 P23219 3/20 0.71
PTGS2 P35354 3/20 0.71
KDM4E B2RXH2 1/20 0.69
GAA P10253 1/20 0.69
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MYOC Q99972 1/20 0.69
ACHE P22303 1/20 0.67
CXCL12 P48061 1/20 0.67
MMP1 P03956 1/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63

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
SCHEMBL23951755 1.00 ABCG2 (0.76) ABCG2MAOBPTGS1PTGS2KDM4E
SCHEMBL25266095 1.00 ABCG2 (0.76) ABCG2MAOBPTGS1PTGS2KDM4E
SCHEMBL25191295 0.92 PTGS1 (0.85) ABCG2MAOBPTGS1PTGS2KDM4E
SCHEMBL25191764 0.92 ABCG2 (0.76) ABCG2MAOBPTGS1PTGS2KDM4E
SCHEMBL31233232 0.92 ABCG2 (0.76) ABCG2MAOBPTGS1PTGS2KDM4E
SCHEMBL28721460 0.88 ABCG2 (0.70) ABCG2MAOBPTGS1PTGS2MAPT
SCHEMBL28721462 0.88 ABCG2 (0.70) ABCG2MAOBPTGS1PTGS2MAPT
SCHEMBL13807943 0.86 MAOB (0.79) MAOBCXCL12
SCHEMBL30383895 0.86 MAOB (0.79) MAOBCXCL12
SCHEMBL16740655 0.86 ABCG2 (0.80) ABCG2MAOBPTGS1PTGS2KDM4E

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-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed