SCHEMBL7960039

SCHEMBL7960039

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
STING1 Q86WV6 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL7960938 0.90 LPAR1 (0.40) LPAR1TP53KMT2AHPGDLMNA
SCHEMBL7960863 0.83 HPGD (0.43) HPGDLMNAPTGS2ALDH1A1
SCHEMBL6990342 0.82 SHMT2 (0.44) LPAR1KMT2ALMNARXFP1ALDH1A1
SCHEMBL6990345 0.82 SHMT2 (0.44) LPAR1KMT2ALMNARXFP1ALDH1A1
SCHEMBL7094315 0.80 MAPK1 (0.44) LPAR1KMT2AHPGDLMNARXFP1
SCHEMBL7094314 0.80 MAPK1 (0.44) LPAR1KMT2AHPGDLMNARXFP1
SCHEMBL6992737 0.79 ALDH1A1 (0.49) LPAR1KMT2ALMNAALDH1A1
SCHEMBL6992741 0.79 ALDH1A1 (0.49) LPAR1KMT2ALMNAALDH1A1
SCHEMBL7000160 0.78 KMT2A (0.48) LPAR1KMT2ALMNARXFP1ALDH1A1
SCHEMBL7000156 0.78 KMT2A (0.48) LPAR1KMT2ALMNARXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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