SCHEMBL7957992

SCHEMBL7957992

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.37
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC18A2 Q05940 1/20 0.32
CXCR5 P32302 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7960018 0.92 LPAR1 (0.37) LPAR1NPC1RAB9A
SCHEMBL8906535 0.90 PYGL (0.34) CXCR5
SCHEMBL7949850 0.88 LPAR1 (0.41) LPAR1NPC1RAB9AMEN1KMT2A
SCHEMBL8796943 0.87 LPAR1 (0.38) LPAR1NPC1RAB9A
SCHEMBL7964389 0.87 LPAR1 (0.35) LPAR1NPC1RAB9AMEN1KMT2A
SCHEMBL7961943 0.86 LPAR1 (0.34) LPAR1NPC1RAB9AMEN1KMT2A
SCHEMBL7961985 0.86 CXCR5 (0.36) LPAR1CXCR5L3MBTL1
SCHEMBL7961794 0.86 LPAR1 (0.41) LPAR1
SCHEMBL7960146 0.85 S1PR5 (0.35) LPAR1NPC1RAB9AMEN1KMT2A
SCHEMBL7960411 0.85 LPAR1 (0.42) LPAR1

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