SCHEMBL6996743

SCHEMBL6996743

COc1cc(C)c(CC(=O)NC(C(=O)O)C(C)C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.47
THRB P10828 4/20 0.47
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MBTPS1 Q14703 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6996747 1.00 THRA (0.47) THRATHRBLMNAMAPK1NPSR1
SCHEMBL7964617 0.89 TAS1R3 (0.48) THRBLMNANPSR1ALDH1A1MAPT
SCHEMBL6990364 0.89 TAS1R3 (0.48) THRBLMNANPSR1ALDH1A1MAPT
SCHEMBL8744704 0.87 THRA (0.45) THRATHRBNPSR1SDCBPSDC2
SCHEMBL8744706 0.87 THRA (0.45) THRATHRBNPSR1SDCBPSDC2
SCHEMBL7094314 0.84 MAPK1 (0.44) THRATHRBLMNAMAPK1NPSR1
SCHEMBL7094315 0.84 MAPK1 (0.44) THRATHRBLMNAMAPK1NPSR1
SCHEMBL6996829 0.82 MEN1 (0.47) THRATHRBMAPK1NPSR1ALDH1A1
SCHEMBL6996825 0.82 MEN1 (0.47) THRATHRBMAPK1NPSR1ALDH1A1
SCHEMBL6995117 0.82 ALDH1A1 (0.50) LMNAMAPK1ALDH1A1KDM4EMEN1

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 5 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
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP 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