SCHEMBL7964623

SCHEMBL7964623

CCC(CC)(NC(=O)C(C)c1ccc(OC)cc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.50
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL7960771 0.89 GPR88 (0.53) GPR88GAAKMT2AOPRM1OPRD1
SCHEMBL8106481 0.86 FFAR2 (0.42) KMT2ALMNAMEN1ALDH1A1CXCR1
SCHEMBL6483832 0.84 LMNA (0.42) GPR88KMT2ALMNAMEN1RAB9A
SCHEMBL7960898 0.82 GPR88 (0.49) GPR88GAAKMT2AOPRM1OPRD1
SCHEMBL7959909 0.82 PTGS2 (0.37) GPR88GAAOPRM1OPRD1LMNA
SCHEMBL7961964 0.81 GPR88 (0.46) GPR88GAAKMT2AOPRM1OPRD1
SCHEMBL7960750 0.81 GPR88 (0.46) GPR88GAAKMT2AOPRM1OPRD1
SCHEMBL7640906 0.80 GPR88 (0.47) GPR88GAAKMT2AOPRM1OPRD1
SCHEMBL7958013 0.77 GPR88 (0.52) GPR88GAAKMT2AOPRM1OPRD1
SCHEMBL7961960 0.76 GPR88 (0.49) GPR88GAAKMT2AOPRM1OPRD1

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