SCHEMBL7319425

SCHEMBL7319425

C=CC[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTRB1 P17538 2/20 0.44
CTSB P07858 1/20 0.44
SLC15A1 P46059 1/20 0.44
LTA4H P09960 1/20 0.44
LAP3 P28838 1/20 0.44
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL7319419 1.00 CYP1A2 (0.49) CYP1A2ALDH1A1L3MBTL1ATMHCAR2
SCHEMBL435251 0.86 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1ATMKMT2A
SCHEMBL7292873 0.86 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1HCAR2MAPK1
SCHEMBL9834113 0.86 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1HCAR2MAPK1
SCHEMBL7301662 0.86 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1HCAR2MAPK1
SCHEMBL12305105 0.84 HSD17B10 (0.49) ALDH1A1CTSB
SCHEMBL21811160 0.83 CYP1A2 (0.59) CYP1A2ALDH1A1L3MBTL1HCAR2MAPK1
SCHEMBL13923722 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1ATMHCAR2MAPK1
SCHEMBL12253535 0.82 SLC1A1 (0.48) CYP1A2ALDH1A1L3MBTL1HCAR2MAPK1
SCHEMBL19105307 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1HCAR2MAPK1SLC6A2

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-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0326364-B1 Renin inhibitory oligopeptides, their preparation and use SANKYO CO (JP) 1994-06-22 EP disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed