SCHEMBL7094318

SCHEMBL7094318

COc1cc(C)ccc1C(C)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.44
GPR139 Q6DWJ6 2/20 0.41
MME P08473 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7961934 0.89 LPAR1 (0.46) LPAR1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL7960296 0.86 LPAR1 (0.50) LPAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL7950092 0.81 MAPK1 (0.53) LPAR1ALDH1A1MAPK1MME
SCHEMBL7949664 0.80 NPSR1 (0.45) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL2063733 0.77 LPAR1 (0.50) LPAR1NPC1RAB9A
SCHEMBL7960040 0.76 LPAR1 (0.48) LPAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL7960940 0.74 LPAR1 (0.48) LPAR1NPC1RAB9AGPR139KMT2A
SCHEMBL8701833 0.73 LPAR1 (0.46) LPAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL7961796 0.73 LPAR1 (0.45) LPAR1MEN1KMT2A
SCHEMBL1424025 0.72 ACHE (0.47) LPAR1ALDH1A1MAPTSMN1; SMN2MEN1

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 3 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