SCHEMBL7094314

SCHEMBL7094314

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LPAR1 Q92633 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MBTPS1 Q14703 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PYGL P06737 1/20 0.39
CYP2C9 P11712 1/20 0.39
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL7094315 1.00 MAPK1 (0.44) MAPK1THRATHRBLMNARXFP1
SCHEMBL7000156 0.90 KMT2A (0.48) MAPK1LMNARXFP1LPAR1ALDH1A1
SCHEMBL7000160 0.90 KMT2A (0.48) MAPK1LMNARXFP1LPAR1ALDH1A1
SCHEMBL6993048 0.90 TAS1R3 (0.44) THRBLMNARXFP1LPAR1ALDH1A1
SCHEMBL7950138 0.90 TAS1R3 (0.44) THRBLMNARXFP1LPAR1ALDH1A1
SCHEMBL8744706 0.88 THRA (0.45) THRATHRBNPC1RAB9APYGL
SCHEMBL8744704 0.88 THRA (0.45) THRATHRBNPC1RAB9APYGL
SCHEMBL6990342 0.87 SHMT2 (0.44) LMNARXFP1LPAR1ALDH1A1KMT2A
SCHEMBL6990345 0.87 SHMT2 (0.44) LMNARXFP1LPAR1ALDH1A1KMT2A
SCHEMBL6996743 0.84 THRA (0.47) MAPK1THRATHRBLMNANPC1

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