SCHEMBL7960093

SCHEMBL7960093

COc1ccc(CC(=O)NC2(C(=O)O)CCC(C(C)(C)C)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ANO1 Q5XXA6 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
P2RX7 Q99572 1/20 0.35
CXCR5 P32302 1/20 0.35
HTT P42858 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
SCHEMBL7960982 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7961954 0.89 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL6474818 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL7960744 0.88 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL8795400 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7960893 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7964339 0.87 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8907160 0.87 NPC1 (0.40) MEN1KMT2AHPGDP2RX7HTT
SCHEMBL7961525 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7949839 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDAPOBEC3A

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