SCHEMBL7960778

SCHEMBL7960778

COc1ccc(C(C)C(=O)NC2(C(=O)O)CCCCCCC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 2/20 0.41
PYGL P06737 5/20 0.39
CYP2C9 P11712 1/20 0.39
FAAH O00519 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LPAR1 Q92633 1/20 0.37
CTSK P43235 2/20 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
SCHEMBL7949626 1.00 CXCR5 (0.41) CXCR5PYGLCYP2C9FAAHTRPV1
SCHEMBL7960124 1.00 CXCR5 (0.41) CXCR5PYGLCYP2C9FAAHTRPV1
SCHEMBL7958053 0.99 CXCR5 (0.41) CXCR5PYGLCYP2C9FAAHTRPV1
SCHEMBL7958073 0.91 MEN1 (0.38) CXCR5FAAHTRPV1MEN1KMT2A
SCHEMBL7950107 0.91 MEN1 (0.38) CXCR5FAAHTRPV1MEN1KMT2A
SCHEMBL7949762 0.91 MEN1 (0.38) CXCR5FAAHTRPV1MEN1KMT2A
SCHEMBL7964594 0.89 SMN1; SMN2 (0.36) CXCR5FAAHTRPV1MEN1KMT2A
SCHEMBL7950122 0.88 CXCR5 (0.39) CXCR5MEN1KMT2ALPAR1
SCHEMBL7961986 0.87 CXCR5 (0.41) CXCR5LPAR1
SCHEMBL7958362 0.87 CXCR5 (0.39) CXCR5

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