SCHEMBL7960118

SCHEMBL7960118

COc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.42
PYGL P06737 5/20 0.40
CYP2C9 P11712 1/20 0.40
CNR2 P34972 1/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL7960411 1.00 LPAR1 (0.42) LPAR1PYGLCYP2C9CNR2FAAH
SCHEMBL7964416 1.00 LPAR1 (0.42) LPAR1PYGLCYP2C9CNR2FAAH
SCHEMBL7961794 0.99 LPAR1 (0.41) LPAR1PYGLCYP2C9CNR2FAAH
SCHEMBL7960902 0.91 MAPT (0.38) LPAR1MAPT
SCHEMBL7960239 0.91 MAPT (0.38) LPAR1MAPT
SCHEMBL7949834 0.91 MAPT (0.38) LPAR1MAPT
SCHEMBL7961784 0.89 MAPT (0.36) LPAR1MAPT
SCHEMBL7949850 0.87 LPAR1 (0.41) LPAR1MAPT
SCHEMBL7964389 0.86 LPAR1 (0.35) LPAR1PYGL
SCHEMBL7958045 0.86 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