SCHEMBL6992737

SCHEMBL6992737

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.47
FOLH1 Q04609 1/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
PYGL P06737 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LPAR1 Q92633 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41

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
SCHEMBL6992741 1.00 ALDH1A1 (0.49) ALDH1A1MAPK1ATMFOLH1KMT2A
SCHEMBL6990895 0.90 TAS1R3 (0.55) FOLH1TAS1R3TAS1R1
SCHEMBL7959631 0.90 TAS1R3 (0.55) FOLH1TAS1R3TAS1R1
SCHEMBL8744827 0.88 MAPK1 (0.56) ALDH1A1MAPK1FOLH1KMT2APOLB
SCHEMBL8744819 0.88 MAPK1 (0.56) ALDH1A1MAPK1FOLH1KMT2APOLB
SCHEMBL6990345 0.86 SHMT2 (0.44) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL6990342 0.86 SHMT2 (0.44) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL6995119 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1ATMFOLH1KMT2A
SCHEMBL6995117 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1ATMFOLH1KMT2A
SCHEMBL7094314 0.84 MAPK1 (0.44) ALDH1A1MAPK1KMT2APYGLLMNA

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