SCHEMBL3715236

SCHEMBL3715236

Cc1ccccc1Cn1cncc1C(CNC(CC(C)C)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.39
ACE P12821 3/20 0.39
ADRA2C P18825 1/20 0.39
ANPEP P15144 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NTSR1 P30989 1/20 0.35
P2RY14 Q15391 1/20 0.35
TP53 P04637 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7375023 0.90 ACE2 (0.39) ACE2ACEGRNSORT1NTSR1
SCHEMBL7382228 0.89 ACE2 (0.43) ACE2ACEANPEPGRNSORT1
SCHEMBL7374947 0.89 ACE2 (0.39) ACE2ACEGRNSORT1MEN1
SCHEMBL3707154 0.88 CD274 (0.42) ACE2ACE
SCHEMBL7398069 0.87 P2RY14 (0.38) ACE2ACEGRNSORT1KDM4E
SCHEMBL7375034 0.87 ANPEP (0.43) ACE2ACEANPEPGRNSORT1
SCHEMBL7384144 0.85 ALDH1A1 (0.40) ACE2ACEKDM4ESMN1; SMN2
SCHEMBL7383288 0.85 ACE2 (0.41) ACE2ACEANPEPGRNSORT1
SCHEMBL7384375 0.85 ACE2 (0.38) ACE2ACEGRNSORT1NTSR1
SCHEMBL3715183 0.83 ACE2 (0.47) ACE2ACEANPEPGRNSORT1

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