SCHEMBL9057201

SCHEMBL9057201

CCN1CCC(C(=O)OC)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
GAA P10253 2/20 0.44
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
FKBP1A P62942 1/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL12667145 0.83 BRD4 (0.62) BRD4GAAALDH1A1SMN1; SMN2HPGD
SCHEMBL3140082 0.83 BRD4 (0.62) BRD4GAAALDH1A1SMN1; SMN2HPGD
SCHEMBL12667147 0.83 BRD4 (0.62) BRD4GAAALDH1A1SMN1; SMN2HPGD
SCHEMBL14636509 0.81 POLB (0.50) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL20481270 0.80 BRD4 (0.43) BRD4GAAALDH1A1NPSR1TP53
SCHEMBL6869169 0.80 BRD4 (0.50) BRD4GAAALDH1A1NPSR1TP53
SCHEMBL14636507 0.78 BRD4 (0.69) BRD4GAAALDH1A1NPSR1TP53
SCHEMBL16758839 0.77 SMN1; SMN2 (0.42) BRD4ALDH1A1NPSR1SMN1; SMN2HSP90AA1
SCHEMBL14990930 0.75 BRD4 (0.69) BRD4GAAALDH1A1SMN1; SMN2HPGD
SCHEMBL11997296 0.74 BRD4 (0.63) BRD4GAAALDH1A1SMN1; SMN2FKBP1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002504-A1 6-BIPHENYLOXYMETHYL-4-CARBOXY-2-PIPERIDINONES, DRUGS CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed