SCHEMBL7958073

SCHEMBL7958073

COC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CXCR5 P32302 1/20 0.35

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
SCHEMBL7949762 1.00 MEN1 (0.38) MEN1KMT2AFAAHTRPV1MAPT
SCHEMBL7950107 1.00 MEN1 (0.38) MEN1KMT2AFAAHTRPV1MAPT
SCHEMBL7964594 0.99 SMN1; SMN2 (0.36) MEN1KMT2AFAAHTRPV1MAPT
SCHEMBL7960124 0.91 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1CXCR5
SCHEMBL7960778 0.91 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1CXCR5
SCHEMBL7949626 0.91 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1CXCR5
SCHEMBL7958053 0.89 CXCR5 (0.41) MEN1KMT2AFAAHTRPV1ALDH1A1
SCHEMBL7960643 0.88 POLB (0.39) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7958197 0.87 SMYD3 (0.35) MAPTSMN1; SMN2P2RX7CXCR5
SCHEMBL7960139 0.86 POLB (0.34) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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