SCHEMBL7950101

SCHEMBL7950101

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LPAR1 Q92633 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
P2RX7 Q99572 1/20 0.36
CXCR5 P32302 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7960533 0.92 ALDH1A1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL6482463 0.89 MEN1 (0.42) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL8906307 0.87 LPAR1 (0.39) HPGDLPAR1P2RX7CYP1A2
SCHEMBL7961954 0.87 ALDH1A1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7961525 0.87 MEN1 (0.44) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7961900 0.87 ALDH1A1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL8653800 0.86 SHMT1 (0.43) HPGDKMT2ALPAR1P2RX7SIGMAR1
SCHEMBL7964124 0.86 LPAR1 (0.40) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7961937 0.86 MEN1 (0.46) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL7958330 0.86 MEN1 (0.46) 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