SCHEMBL3715183

SCHEMBL3715183

Cc1ccc(Cn2cncc2C(CNC(CC(C)C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.47
ACE P12821 3/20 0.47
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 6/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
ANPEP P15144 1/20 0.36
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
FOLH1 Q04609 1/20 0.35
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 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
SCHEMBL3680172 0.92 ACE2 (0.52) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL7429450 0.91 ACE2 (0.46) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL7382601 0.91 CYP11B1 (0.47) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL7391523 0.91 ACE2 (0.48) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL7382791 0.89 ACE2 (0.49) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL3712513 0.89 ACE2 (0.45) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1655466 0.88 ACE2 (0.48) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL3704209 0.88 ACE2 (0.44) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL3712455 0.88 MAPT (0.47) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1658173 0.88 CYP11B1 (0.50) ACE2ACECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO disclosed
EP-2059234-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2009-05-20 EP disclosed
WO-2008031014-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2008-03-13 WO disclosed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed