SCHEMBL9577909

SCHEMBL9577909

C=C(Cl)CC(C(=O)C(=O)OC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.39
KCNQ2 O43526 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9872019 0.82 LMNA (0.46) SMN1; SMN2LMNAMAPTALDH1A1NPSR1
SCHEMBL22535019 0.80 KMT2A (0.47) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL17872151 0.74 KMT2A (0.44) KMT2ASMN1; SMN2LMNAMAPTMEN1
SCHEMBL13221969 0.74 ALDH1A1 (0.48) KMT2ASMN1; SMN2LMNAMAPTMEN1
SCHEMBL9577345 0.74 CYP2C19 (0.41) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL496468 0.73 KMT2A (0.50) KMT2ALMNAHPGDTSHRCYP3A4
SCHEMBL4949590 0.71 KMT2A (0.53) KMT2ASMN1; SMN2LMNAMAPTMEN1
SCHEMBL2318407 0.71 KCNA5 (0.47) KMT2ASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL1395452 0.71 KMT2A (0.52) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL7636997 0.71 KMT2A (0.52) KMT2ALMNAALDH1A1L3MBTL1HPGD

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
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed