SCHEMBL3449692

SCHEMBL3449692

N[C@H](C(=O)O)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 5/20 0.68
SLC1A3 P43003 3/20 0.68
SLC1A2 P43004 3/20 0.68
ERAP1 Q9NZ08 4/20 0.51
ANPEP P15144 3/20 0.51
ERAP2 Q6P179 3/20 0.51
GRIK1 P39086 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
LAP3 P28838 3/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL27764373 1.00 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
Hydrochloric Acid SCHEMBL29089022 0.86 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL27453354 0.84 SLC1A3 (0.51) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL5287440 0.83 SLC1A3 (0.55) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL1880545 0.81 SLC1A3 (0.53) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL1881095 0.81 SLC1A3 (0.53) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL1884112 0.81 SLC1A3 (0.53) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL10654495 0.81 SLC1A3 (0.53) SLC1A1SLC1A3SLC1A2ERAP1ANPEP
SCHEMBL14498029 0.81 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ANPEPMEN1
SCHEMBL5577228 0.81 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ANPEPMEN1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230243794-A1 POLYMER NANOSTRUCTURES, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2023-08-03 US claimed
CN-102634033-A Dextran-based amphiphilic segmented copolymer preparation method UNIV NORTHEAST NORMAL 2012-08-15 CN claimed
CN-101580261-B Hollow calcium carbonate calcite crystal preparation method UNIV HENAN 2011-01-12 CN claimed
CN-101580261-A Hollow calcium carbonate calcite crystal preparation method UNIV HENAN (CN) 2009-11-18 CN claimed
CN-1446590-A New type cement with composite polypeptide/calcium phosphate being as framework TECH UNIV (CN) 2003-10-08 CN claimed
US-20230243794-A1 POLYMER NANOSTRUCTURES, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2023-08-03 US disclosed
CN-103771480-B A kind of method utilizing calcium lignosulfonate to regulate and control to prepare calcium carbonate micro-nano bead ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2015-09-09 CN disclosed
CN-103771480-A Method for regulating and controlling preparation of calcium carbonate micro-nanospheres through calcium lignosulfonate UNIV ZHEJIANG SCIENCE & TECH 2014-05-07 CN disclosed
CN-102634033-A Dextran-based amphiphilic segmented copolymer preparation method UNIV NORTHEAST NORMAL 2012-08-15 CN disclosed
CN-101597290-B Beta-carboline-3-formyl tryptophyl amine acid carbamate as well as preparation method and application thereof UNIV CAPITAL MEDICAL 2011-11-09 CN disclosed
CN-101580261-B Hollow calcium carbonate calcite crystal preparation method UNIV HENAN 2011-01-12 CN disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed