SCHEMBL7960146

SCHEMBL7960146

COc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCC(C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.35
LPAR1 Q92633 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7964520 0.92 S1PR5 (0.33) S1PR5LPAR1MEN1KMT2ALMNA
SCHEMBL8907295 0.90 S1PR5 (0.35) S1PR5
SCHEMBL7949850 0.88 LPAR1 (0.41) LPAR1MEN1KMT2AMAPTNPC1
SCHEMBL8796360 0.87 MEN1 (0.35) S1PR5LPAR1MEN1KMT2ALMNA
SCHEMBL7964389 0.87 LPAR1 (0.35) LPAR1MEN1KMT2ALMNANPC1
SCHEMBL7961943 0.86 LPAR1 (0.34) LPAR1MEN1KMT2ALMNAMAPT
SCHEMBL7964339 0.86 ALDH1A1 (0.35) S1PR5LPAR1MEN1KMT2ALMNA
SCHEMBL7961794 0.86 LPAR1 (0.41) LPAR1
SCHEMBL7957992 0.85 LPAR1 (0.37) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7960118 0.85 LPAR1 (0.42) LPAR1MAPT

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