SCHEMBL7274646

SCHEMBL7274646

CCOC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.62
POLB P06746 3/20 0.60
ABCB11 O95342 1/20 0.58
NR1D1 P20393 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL27431282 1.00 ACE (0.62) ACEPOLBABCB11NR1D1TDP1
SCHEMBL7274651 1.00 ACE (0.62) ACEPOLBABCB11NR1D1TDP1
SCHEMBL28556786 0.89 NR1D1 (0.68) ACEPOLBABCB11NR1D1NPSR1
SCHEMBL29409301 0.89 NR1D1 (0.68) ACEPOLBABCB11NR1D1NPSR1
SCHEMBL27580687 0.88 ACE (0.56) ACEPOLBABCB11NR1D1TDP1
SCHEMBL27580689 0.88 ACE (0.56) ACEPOLBABCB11NR1D1TDP1
SCHEMBL1052393 0.86 NPSR1 (0.62) ACEPOLBABCB11TDP1L3MBTL1
SCHEMBL29401156 0.86 NPSR1 (0.62) ACEPOLBABCB11TDP1L3MBTL1
SCHEMBL30314166 0.86 NPSR1 (0.62) ACEPOLBABCB11TDP1L3MBTL1
SCHEMBL14862925 0.86 NPSR1 (0.62) ACEPOLBABCB11TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4680284-A RENNIN INHIBITORS, HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-07-14 US disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed