SCHEMBL6988658

SCHEMBL6988658

COc1ccccc1C(C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
SHMT2 P34897 2/20 0.48
MME P08473 3/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
LPAR1 Q92633 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LTA4H P09960 2/20 0.44
GLS O94925 1/20 0.44
ACE P12821 1/20 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
SCHEMBL6988655 1.00 KMT2A (0.49) KMT2ASHMT2MMEPOLBHTT
SCHEMBL6481411 0.86 KMT2A (0.47) KMT2ASHMT2MMEPOLBHTT
SCHEMBL7960296 0.82 LPAR1 (0.50) KMT2ALPAR1ALDH1A1
SCHEMBL8473051 0.81 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL362211 0.81 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL7885098 0.81 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL5541713 0.76 LPAR1 (0.49) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL4156225 0.76 MME (0.64) MMEPOLBLTA4HACE
SCHEMBL2251625 0.76 HPGD (0.70) KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL2251629 0.76 HPGD (0.70) KMT2AL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed