SCHEMBL11041909

SCHEMBL11041909

[CH2]CCC(=O)c1ccc(OCC)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
ALDH1A1 P00352 5/20 0.58
PARP10 Q53GL7 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PLK1 P53350 1/20 0.54
PLA2G4B P0C869 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL3032173 0.90 NPC1 (0.81) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL4262518 0.82 NPC1 (0.74) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL19043207 0.82 NPC1 (0.74) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL9118933 0.81 MAPT (0.66) NPC1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL6317361 0.81 NPC1 (0.72) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL7627400 0.81 NPC1 (0.72) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL27796196 0.81 NPC1 (0.72) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL9657455 0.81 NPC1 (0.83) NPC1ALDH1A1PARP10L3MBTL1LMNA
SCHEMBL19043463 0.81 NPC1 (0.83) NPC1L3MBTL1
SCHEMBL3027529 0.80 HPGD (0.52) NPC1ALDH1A1L3MBTL1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed