SCHEMBL28809030

SCHEMBL28809030

Cc1cc(C=CC(=O)Nc2ccccc2C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 6/20 0.69
LTB4R Q15722 2/20 0.69
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TP53 P04637 2/20 0.63
CYP3A4 P08684 2/20 0.63
HPGD P15428 2/20 0.63
HIF1A Q16665 2/20 0.63
KDM4E B2RXH2 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ABCC4 O15439 1/20 0.63
HPGDS O60760 1/20 0.63
ABCB11 O95342 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
SCHEMBL28809027 1.00 TRPM2 (0.69) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL110012 0.88 MEN1 (0.68) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL2779401 0.88 MEN1 (0.68) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL28947491 0.86 TRPM2 (0.69) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL28947492 0.86 TRPM2 (0.69) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL13556323 0.85 TRPA1 (0.69) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL28810863 0.85 MEN1 (0.79) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL28810861 0.85 MEN1 (0.79) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL16272300 0.85 MEN1 (0.61) TRPM2LTB4RMEN1KMT2ANPC1
SCHEMBL16272334 0.84 TRPA1 (0.69) TRPM2LTB4RMEN1KMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114831977-A Application of benzoic acid derivatives as TRPM2 protein inhibitors 北京大学 2022-08-02 CN claimed
CN-114831977-B Application of benzoic acid derivative as TRPM2 protein inhibitor 北京大学 2023-12-19 CN disclosed
CN-114831977-A Application of benzoic acid derivatives as TRPM2 protein inhibitors 北京大学 2022-08-02 CN disclosed