SCHEMBL3715232

SCHEMBL3715232

Cc1ccccc1Cn1cncc1CCN(C(=O)O)C(CC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
ACE2 Q9BYF1 4/20 0.36
ACE P12821 3/20 0.36
TP53 P04637 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ADRA2C P18825 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ANPEP P15144 1/20 0.32

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
SCHEMBL7375020 0.90 CYP11B1 (0.39) CYP11B1CYP11B2ACE2ACE
SCHEMBL7382224 0.89 CYP11B1 (0.41) CYP11B1CYP11B2ACE2ACEFNTA
SCHEMBL7374943 0.89 CYP11B1 (0.39) CYP11B1CYP11B2ACE2ACESMN1; SMN2
SCHEMBL7398066 0.88 CYP11B1 (0.37) CYP11B1CYP11B2ACE2ACEMEN1
SCHEMBL1655292 0.87 CYP11B1 (0.36) CYP11B1CYP11B2ACE2ACEFNTA
SCHEMBL7384141 0.86 ALDH1A1 (0.39) CYP11B1CYP11B2
SCHEMBL7383285 0.86 ACE2 (0.38) CYP11B1CYP11B2ACE2ACE
SCHEMBL3686724 0.86 CYP11B1 (0.35) CYP11B1CYP11B2ACE2ACE
SCHEMBL3715181 0.84 ACE2 (0.43) CYP11B1CYP11B2ACE2ACEFNTA
SCHEMBL3712509 0.83 ACE2 (0.41) CYP11B1CYP11B2ACE2ACE

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
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO claimed
WO-2009049022-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-04-16 WO claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 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