SCHEMBL6990342

SCHEMBL6990342

COc1cc(C)cc(C)c1CC(=O)NC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.44
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LPAR1 Q92633 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR183 P32249 1/20 0.38
CD274 Q9NZQ7 2/20 0.38

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
SCHEMBL6990345 1.00 SHMT2 (0.44) SHMT2LMNARXFP1LPAR1POLB
SCHEMBL6990018 0.89 MEN1 (0.43) LMNARXFP1LPAR1MEN1KMT2A
SCHEMBL7961970 0.89 MEN1 (0.43) LMNARXFP1LPAR1MEN1KMT2A
SCHEMBL8744756 0.87 POLB (0.47) SHMT2LMNAPOLBSMN1; SMN2KDM4E
SCHEMBL8744760 0.87 POLB (0.47) SHMT2LMNAPOLBSMN1; SMN2KDM4E
SCHEMBL7094315 0.87 MAPK1 (0.44) LMNARXFP1LPAR1ALDH1A1KMT2A
SCHEMBL7094314 0.87 MAPK1 (0.44) LMNARXFP1LPAR1ALDH1A1KMT2A
SCHEMBL6992737 0.86 ALDH1A1 (0.49) LMNALPAR1POLBKDM4EALDH1A1
SCHEMBL6992741 0.86 ALDH1A1 (0.49) LMNALPAR1POLBKDM4EALDH1A1
SCHEMBL7000156 0.85 KMT2A (0.48) LMNARXFP1LPAR1ALDH1A1MEN1

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