SCHEMBL7945834

SCHEMBL7945834

[CH2]OC(=O)c1ccccc1OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.58
L3MBTL1 Q9Y468 5/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL7628280 0.86 HCRTR1 (0.55) HCRTR1L3MBTL1GLAMAPTALDH1A1
SCHEMBL7959817 0.86 ADRB2 (0.53) L3MBTL1MAPTALDH1A1KMT2ANPSR1
SCHEMBL28992535 0.85 HCRTR1 (0.62) HCRTR1L3MBTL1GLAMAPTALDH1A1
SCHEMBL4282830 0.85 HCRTR1 (0.62) HCRTR1L3MBTL1GLAMAPTALDH1A1
SCHEMBL6464181 0.85 HCRTR1 (0.62) HCRTR1L3MBTL1GLAMAPTALDH1A1
SCHEMBL7956577 0.85 LMNA (0.59) L3MBTL1MAPTALDH1A1MAPK1KMT2A
SCHEMBL1989129 0.84 HCRTR1 (0.65) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL536025 0.84 TSHR (0.71) HCRTR1L3MBTL1GLAMAPTALDH1A1
SCHEMBL30553984 0.84 HCRTR1 (0.65) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL7955078 0.83 LMNA (0.66) L3MBTL1MAPTALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
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