SCHEMBL7964594

SCHEMBL7964594

COC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.35
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CXCR5 P32302 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL7950107 0.99 MEN1 (0.38) SMN1; SMN2MEN1KMT2AP2RX7FAAH
SCHEMBL7949762 0.99 MEN1 (0.38) SMN1; SMN2MEN1KMT2AP2RX7FAAH
SCHEMBL7958073 0.99 MEN1 (0.38) SMN1; SMN2MEN1KMT2AP2RX7FAAH
SCHEMBL7958053 0.91 CXCR5 (0.41) MEN1KMT2AP2RX7FAAHTRPV1
SCHEMBL7960124 0.89 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1CXCR5
SCHEMBL7949626 0.89 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1CXCR5
SCHEMBL7960778 0.89 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1CXCR5
SCHEMBL7960643 0.89 POLB (0.39) SMN1; SMN2MEN1KMT2ACXCR5MAPT
SCHEMBL7958197 0.88 SMYD3 (0.35) SMN1; SMN2P2RX7CXCR5MAPT
SCHEMBL7960139 0.87 POLB (0.34) SMN1; SMN2MEN1KMT2AP2RX7CXCR5

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