SCHEMBL7964417

SCHEMBL7964417

COc1cc(C)ccc1C(C)C(=O)NC1(C(=O)O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.45
THRB P10828 1/20 0.43
FAAH O00519 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
SCHEMBL8703008 1.00 LPAR1 (0.45) LPAR1THRBFAAH
SCHEMBL8704918 1.00 LPAR1 (0.45) LPAR1THRBFAAH
SCHEMBL7961796 0.99 LPAR1 (0.45) LPAR1THRB
SCHEMBL7949836 0.91 LPAR1 (0.45) LPAR1THRB
SCHEMBL7960904 0.91 LPAR1 (0.45) LPAR1THRB
SCHEMBL7960240 0.91 LPAR1 (0.45) LPAR1THRB
SCHEMBL7961786 0.89 LPAR1 (0.45) LPAR1THRB
SCHEMBL8697877 0.88 LPAR1 (0.44) LPAR1
SCHEMBL8701728 0.87 LPAR1 (0.43) LPAR1
SCHEMBL7964393 0.87 LPAR1 (0.43) LPAR1THRB

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