SCHEMBL7958330

SCHEMBL7958330

COc1ccc(CC(=O)NC2(C(=O)O)CCCCC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
FAAH O00519 2/20 0.40
LPAR1 Q92633 3/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CXCR5 P32302 1/20 0.39
CTSK P43235 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
SCHEMBL7960420 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7961937 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7961525 0.99 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7964653 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7964438 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7949722 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7960737 0.89 KMT2A (0.44) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7961954 0.87 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL6475226 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL6475252 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDTSHR

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