SCHEMBL8957164

SCHEMBL8957164

CCCC(=O)N[C@@H](Cc1cnc(CCC)n1CCc1ccccc1Cl)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 2/20 0.37

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
SCHEMBL7056939 0.92 PTGES (0.41)
SCHEMBL9507594 0.90 MAPT (0.39) MAPT
SCHEMBL8957161 0.87 TP53 (0.40) TP53MAPTALDH1A1LMNATHRB
SCHEMBL7056871 0.82 PTGES (0.44)
SCHEMBL7056937 0.80 TP53 (0.46) TP53MAPTALDH1A1LMNATHRB
SCHEMBL9508509 0.78
SCHEMBL9507591 0.78 FNTA (0.39) TP53MAPT
SCHEMBL9509866 0.77 SLC6A2 (0.35) MAPTALDH1A1LMNA
SCHEMBL7049832 0.77
SCHEMBL8971306 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP disclosed
EP-0561876-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF ATHEROMA. SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed
EP-0561901-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF DIABETIC RETINOPATHY SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed