SCHEMBL7958045

SCHEMBL7958045

COc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCCC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.42
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 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
SCHEMBL7957870 0.92 LPAR1 (0.35) LPAR1NPC1RAB9AMAPTMEN1
SCHEMBL8907769 0.90 LPAR1 (0.38) LPAR1GAA
SCHEMBL7949850 0.87 LPAR1 (0.41) LPAR1NPC1RAB9AMAPTMEN1
SCHEMBL7961794 0.87 LPAR1 (0.41) LPAR1
SCHEMBL7959967 0.87 LPAR1 (0.39) LPAR1NPC1RAB9AMEN1KMT2A
SCHEMBL7964124 0.86 LPAR1 (0.40) LPAR1MAPTMEN1KMT2AGAA
SCHEMBL7960411 0.86 LPAR1 (0.42) LPAR1MAPT
SCHEMBL7964416 0.86 LPAR1 (0.42) LPAR1MAPT
SCHEMBL7960118 0.86 LPAR1 (0.42) LPAR1MAPT
SCHEMBL8796439 0.85 NPC1 (0.34) LPAR1NPC1RAB9AMEN1KMT2A

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