SCHEMBL6994002

SCHEMBL6994002

COc1ccc(CC(=O)NC(C)C(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
SHMT2 P34897 2/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL6994008 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7961893 0.89 MEN1 (0.50) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL6995409 0.89 MEN1 (0.50) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL6996829 0.86 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6996825 0.86 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7000909 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL7000904 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL4426809 0.85 PRSS1 (0.48) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4426812 0.85 PRSS1 (0.48) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6996015 0.83 KMT2A (0.47) ALDH1A1MEN1KMT2A

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