SCHEMBL7350485

SCHEMBL7350485

CC(Oc1ccccc1N)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
CTSK P43235 5/20 0.39
CTSS P25774 4/20 0.39
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL8904987 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL8904990 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL27397525 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL1561376 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL8904200 0.86 TRPA1 (0.40) APPCTSKCTSSACETRPA1
SCHEMBL1562328 0.86 TRPA1 (0.40) CTSKCTSSACETRPA1
SCHEMBL8905741 0.86 TRPA1 (0.40) CTSKCTSSACETRPA1
SCHEMBL8905745 0.86 TRPA1 (0.40) CTSKCTSSACETRPA1
SCHEMBL8904204 0.86 TRPA1 (0.40) APPCTSKCTSSACETRPA1
SCHEMBL27452074 0.86 TRPA1 (0.40) APPCTSKCTSSACETRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed