SCHEMBL7961900

SCHEMBL7961900

COc1ccc(CC(=O)NC2(C(=O)O)CCC(C)C(C)C2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
P2RX7 Q99572 1/20 0.37
LPAR1 Q92633 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 1/20 0.35
CXCR5 P32302 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 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
SCHEMBL7961515 0.92 ALDH1A1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL6475663 0.89 P2RX7 (0.42) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7961954 0.88 ALDH1A1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL8907075 0.87 NPC1 (0.39) HPGDMEN1KMT2AP2RX7LPAR1
SCHEMBL7950101 0.87 ALDH1A1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7964477 0.86 LPAR1 (0.37) ALDH1A1HPGDAPOBEC3AAPOBEC3GKMT2A
SCHEMBL8657723 0.86 P2RX7 (0.42) HPGDKMT2AP2RX7SIGMAR1
SCHEMBL8797004 0.86 ALDH1A1 (0.47) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7960744 0.85 MEN1 (0.42) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7960893 0.84 MEN1 (0.42) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1

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