SCHEMBL7961796

SCHEMBL7961796

COc1cc(C)ccc1C(C)C(=O)NC1(C(=O)O)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.45
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7964417 0.99 LPAR1 (0.45) LPAR1THRB
SCHEMBL8704918 0.99 LPAR1 (0.45) LPAR1THRB
SCHEMBL8703008 0.99 LPAR1 (0.45) LPAR1THRB
SCHEMBL7961786 0.91 LPAR1 (0.45) LPAR1THRB
SCHEMBL7960904 0.89 LPAR1 (0.45) LPAR1THRBL3MBTL1
SCHEMBL7949836 0.89 LPAR1 (0.45) LPAR1THRBL3MBTL1
SCHEMBL7960240 0.89 LPAR1 (0.45) LPAR1THRBL3MBTL1
SCHEMBL8697877 0.89 LPAR1 (0.44) LPAR1KMT2A
SCHEMBL7964393 0.88 LPAR1 (0.43) LPAR1THRBKMT2A
SCHEMBL8701728 0.88 LPAR1 (0.43) LPAR1KMT2A

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