SCHEMBL3711706

SCHEMBL3711706

CC(C)CC(NCC(C(=O)O)c1cncn1CCc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.41
ACE P12821 3/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MME P08473 2/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
ANPEP P15144 1/20 0.38
LTA4H P09960 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL3712784 0.85 ACE2 (0.39) ACE2ACECYP11B1CYP11B2MME
SCHEMBL3712455 0.83 MAPT (0.47) ACE2ACECYP11B1CYP11B2
SCHEMBL3704209 0.83 ACE2 (0.44) ACE2ACECYP11B1CYP11B2
SCHEMBL7381303 0.83 ACE2 (0.44) ACE2ACECYP11B1CYP11B2MME
SCHEMBL3715236 0.82 ACE2 (0.39) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL7375023 0.82 ACE2 (0.39) ACE2ACECYP11B1CYP11B2MME
SCHEMBL3709303 0.82 ACE2 (0.52) ACE2ACECYP11B1CYP11B2
SCHEMBL3714339 0.82 ACE2 (0.43) ACE2ACECYP11B1CYP11B2ANPEP
SCHEMBL3710373 0.82 ACE2 (0.43) ACE2ACECYP11B1CYP11B2MME
SCHEMBL3680172 0.82 ACE2 (0.52) ACE2ACECYP11B1CYP11B2GRN

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 11 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
JP-2002543120-A 2002-12-17 JP 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-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 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-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