SCHEMBL7960895

SCHEMBL7960895

CCC1CCC(NC(=O)C(C)c2ccc(OC)cc2)(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 9/20 0.45
GAA P10253 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
KMT2A Q03164 3/20 0.38
NPY1R P25929 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL7958038 0.91 GPR88 (0.42) GPR88GAASMYD3KMT2ANPY1R
SCHEMBL6483628 0.88 CNR2 (0.37) GPR88KMT2ANPY1RSLC6A4KCNH2
SCHEMBL7961955 0.87 GPR88 (0.44) GPR88GAASMYD3KMT2AMEN1
SCHEMBL7960746 0.87 GPR88 (0.44) GPR88GAASMYD3KMT2AMEN1
SCHEMBL7949841 0.86 GPR88 (0.44) GPR88GAASMYD3KMT2AMEN1
SCHEMBL8655615 0.86 GAA (0.37) GPR88GAA
SCHEMBL8698327 0.84 GPR88 (0.48) GPR88GAAKMT2AMEN1RAB9A
SCHEMBL7960096 0.84 ALDH1A1 (0.42) GPR88GAASMYD3KMT2AMEN1
SCHEMBL7958019 0.84 MEN1 (0.39) GPR88SMYD3KMT2AMEN1MAPT
SCHEMBL8697428 0.83 GPR88 (0.47) GPR88GAAKMT2ASLC6A4MEN1

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