SCHEMBL8665987

SCHEMBL8665987

NCC(=O)Oc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
TAAR1 Q96RJ0 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 4/20 0.37
ALOX5 P09917 1/20 0.36
HSD17B10 Q99714 3/20 0.35
PTPN1 P18031 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL28942302 0.84 MMP1 (0.49) MMP1MMP9MMP12CES2CES1
SCHEMBL7778707 0.82
SCHEMBL6324049 0.81 MMP1 (0.46) MMP1MMP9MMP12CES2CES1
Hydrochloric Acid SCHEMBL27680685 0.79 MMP1 (0.45) MMP1MMP9MMP12CES2CES1
SCHEMBL28942304 0.79 MMP1 (0.45) MMP1MMP9MMP12CES2CES1
SCHEMBL28576324 0.78 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL7024452 0.77 MMP1 (0.53) MMP1MMP9MMP12CES2CES1
SCHEMBL16196732 0.77 MMP1 (0.53) MMP1MMP9MMP12CES2CES1
SCHEMBL29089348 0.77 MMP1 (0.43) MMP1MMP9MMP12CES2CES1
SCHEMBL15670469 0.76 MMP1 (0.43) MMP1MMP9MMP12CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1145638-C Novel aspartyldipeptideamide derivatives and sweetener ֮����ʽ���� 2004-04-14 CN claimed
US-5795612-A Aspartyldipeptideamine derivatives and sweetner AJINOMOTO CO., INC. (JP) 1998-08-18 US claimed
CN-1143648-A Novel aspartyldipeptideamide derivatives and sweetener AJINOMOTO KK (JP) 1997-02-26 CN claimed
EP-0748814-A1 Novel aspartyldipeptideamide derivatives and sweetener Ajinomoto Co., Ltd. (JP) 1996-12-18 EP claimed
CN-109104862-A 4, 9-dioxo-4, 9-dihydronaphtho [2,3-b ] furan-3-carboxamide derivatives and their use for the treatment of proliferative and infectious diseases 中央研究院 2018-12-28 CN disclosed
EP-2914131-A1 FLAVOUR ADDITIVES Mars, Incorporated (US) 2015-09-09 EP disclosed
WO-2014068044-A1 FLAVOUR ADDITIVES MARS, INCORPORATED (US) 2014-05-08 WO disclosed
CN-1379785-A Caspase inhibitors for the treatment and prevention of chemotherapy and radiotherapy induced cell death CYTOVIA INC (US) 2002-11-13 CN disclosed
CN-1297354-A Dipeptide caspase inhibitors and use thereof CYTOVIA INC (US) 2001-05-30 CN disclosed
US-5795612-A Aspartyldipeptideamine derivatives and sweetner AJINOMOTO CO., INC. (JP) 1998-08-18 US disclosed
US-5795612-A Aspartyldipeptideamine derivatives and sweetner AJINOMOTO CO., INC. (JP) 1998-08-18 US disclosed
CN-1107155-A Thienyl- and furylpyrrole insecticidal and acaridical agents AMERICAN CYANAMID CO (US) 1995-08-23 CN disclosed
US-4224442-A 7-Ureido acetamido substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1980-09-23 US disclosed
US-4061630-A 7-Substituted-ureido-3-carbamoyloxymethyl cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1977-12-06 US disclosed