SCHEMBL7964339

SCHEMBL7964339

COc1cc(C)c(CC(=O)NC2(C(=O)O)CCC(C(C)(C)C)CC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
S1PR5 Q9H228 8/20 0.35
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
LPAR1 Q92633 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL7957823 0.91 ALDH1A1 (0.35) ALDH1A1S1PR5MAPTMAPK1MEN1
SCHEMBL8907295 0.89 S1PR5 (0.35) S1PR5CYP2C9
SCHEMBL7950121 0.87 GPR132 (0.39) ALDH1A1MAPTKMT2ALPAR1SIGMAR1
SCHEMBL7960093 0.87 MEN1 (0.42) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL8796407 0.86 ALDH1A1 (0.36) ALDH1A1S1PR5MAPTMAPK1MEN1
SCHEMBL7958357 0.86 L3MBTL1 (0.34) ALDH1A1MEN1KMT2ACYP2C9TP53
SCHEMBL7960146 0.86 S1PR5 (0.35) S1PR5MAPTMEN1KMT2ANPSR1
SCHEMBL7958016 0.85 KMT2A (0.37) ALDH1A1MAPTMEN1KMT2ALPAR1
SCHEMBL7958051 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C9LPAR1
SCHEMBL7961985 0.84 CXCR5 (0.36) ALDH1A1LPAR1LMNASIGMAR1

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