SCHEMBL7323732

SCHEMBL7323732

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CTSB P07858 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CTRB1 P17538 2/20 0.43
LMNA P02545 2/20 0.42
SLC15A1 P46059 1/20 0.40
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL8823895 0.84 CTSB (0.50) ALDH1A1CTSBHCAR2TDP1MAPK1
SCHEMBL7866690 0.81 ALDH1A1 (0.38) ALDH1A1CTSBHCAR2TDP1MAPK1
SCHEMBL9179158 0.80 ALDH1A1 (0.50) ALDH1A1CTSBHCAR2TDP1MAPK1
SCHEMBL5167644 0.79 ATM (0.46) CTSBTDP1CYP1A2
SCHEMBL11115960 0.79 ALDH1A1 (0.43) ALDH1A1CTSBHCAR2TDP1MAPK1
SCHEMBL8762963 0.78 CTSB (0.51) ALDH1A1CTSBHCAR2TDP1MAPK1
SCHEMBL9516360 0.76 PPARG (0.47) LTA4HLAP3
SCHEMBL8393993 0.76 ALDH1A1 (0.56) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL7419761 0.74 CTSB (0.53) ALDH1A1CTSBHCAR2TDP1MAPK1
SCHEMBL27568984 0.74 SLC15A1 (0.53) ALDH1A1CTSBHCAR2TDP1MAPK1

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
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP disclosed