SCHEMBL8957111

SCHEMBL8957111

CCCSc1ncc(C[C@H](NC(=O)CC(C)C)C(=O)O)n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 1/20 0.36
ACE P12821 1/20 0.36
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL8957103 1.00 TP53 (0.44) TP53RXFP1MAPTACEPOLB
SCHEMBL7056869 0.91 TP53 (0.45) TP53RXFP1MAPT
SCHEMBL8957074 0.89 TP53 (0.45) TP53ADORA3ADORA2AADORA1
SCHEMBL8957081 0.89 TP53 (0.45) TP53ADORA3ADORA2AADORA1
SCHEMBL8971303 0.89 TP53 (0.44) TP53
SCHEMBL8971301 0.89 TP53 (0.44) TP53
SCHEMBL8957085 0.88 TP53 (0.43) TP53ACE
SCHEMBL8957094 0.88 TP53 (0.43) TP53ACE
SCHEMBL9475000 0.86 TP53 (0.46) TP53POLB
SCHEMBL8957050 0.85 TP53 (0.43) TP53MAPT

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-5565480-A ANGIOTENSIN II RECEPTOR ANTAGONIST; USEFUL IN REGULATING HYPERTENSION, TREATMENT OF CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLUCOMA SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 US claimed
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP claimed
US-5444081-A Treatment of hypertension, congestive heart failure, renal failure, glaucoma SMITHKLINE BEECHAM CORP (US) 1995-08-22 US claimed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP claimed
WO-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO claimed
US-5565480-A ANGIOTENSIN II RECEPTOR ANTAGONIST; USEFUL IN REGULATING HYPERTENSION, TREATMENT OF CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLUCOMA SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 US disclosed
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP disclosed
US-5444081-A Treatment of hypertension, congestive heart failure, renal failure, glaucoma SMITHKLINE BEECHAM CORP (US) 1995-08-22 US disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
WO-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO disclosed