SCHEMBL296747

SCHEMBL296747

O=C(O)[C@H](Cc1ccccc1)N(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CPA3 P15088 3/20 0.48
CPA1 P15085 2/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
ADAMTS5 Q9UNA0 2/20 0.48
SRR Q9GZT4 2/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1573822 1.00 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL3724926 1.00 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2238484 0.88 MME (0.48) CYP1A2CPA1FOLH1NPSR1
SCHEMBL2238482 0.88 MME (0.48) CYP1A2CPA1FOLH1NPSR1
SCHEMBL607090 0.85 SLC7A5 (0.55) SLC7A5FOLH1
SCHEMBL607091 0.85 SLC7A5 (0.55) SLC7A5FOLH1
SCHEMBL11710892 0.82 ADAMTS5 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL31114841 0.82 ADAMTS5 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2466759 0.82 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL157789 0.82 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117405800-A Method for simultaneously detecting reduced biological ammonia sulfhydryl compound and oxidized biological ammonia sulfhydryl compound 上海中医药大学 2024-01-16 CN claimed
CN-116678974-A Screening method of Alzheimer disease plasma metabolism marker, plasma metabolism marker and application 上海大学 2023-09-01 CN claimed
EP-3149029-B1 LIPIDATED PEPTIDES AS NEUROPROTECTIVE AGENTS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-06-19 EP claimed
EP-3094643-B1 LIPIDATED PEPTIDES FOR LOWERING BLOOD GLUCOSE FYZIOLOGICKY USTAV AKADEMIE VED CESKE REPUBLIKY V V I (CZ) 2018-10-17 EP claimed
CN-108026162-A Cystine knot scaffold platform 豪夫迈·罗氏有限公司 2018-05-11 CN claimed
EP-3157948-A1 LONG-ACTING STABLE PEPTIDE GHRELIN ANALOGS FOR THE TREATMENT OF CACHEXIA Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2017-04-26 EP claimed
EP-3149029-A1 LIPIDATED PEPTIDES AS NEUROPROTECTIVE AGENTS Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2017-04-05 EP claimed
US-20170051031-A1 LIPIDATED PEPTIDES AS NEUROPROTECTIVE AGENTS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-02-23 US claimed
US-20170044230-A1 LONG-ACTING STABLE PEPTIDE GHRELIN ANALOGS FOR THE TREATMENT OF CACHEXIA USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-02-16 US claimed
EP-3094643-A2 LIPIDATED PEPTIDES FOR LOWERING BLOOD GLUCOSE Fyziologicky Ústav Akademie VED Ceské Republiky, V.V.I. (CZ) 2016-11-23 EP claimed
WO-2004063212-A2 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTION AS THROMBIN INHIBITORS AND USE THEROF CPI CREATIVE PHARMA INTERNATIONAL GMBH (DE) 2004-07-29 WO claimed
EP-1425296-A1 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTIVITY AS THROMBIN INHIBITORS AND USE THEREOF Novel Science International Gmbh (DE) 2004-06-09 EP claimed
WO-2003022873-A1 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTIVITY AS THROMBIN INHIBITORS AND USE THEREOF NOVEL SCIENCE INTERNATIONAL GMBH (DE) 2003-03-20 WO claimed
EP-0938328-A4 METHOD OF INHIBITING FIBROSIS WITH A SOMATOSTATIN AGONIST BIOMEASURE INC (US) 2002-08-28 EP claimed
EP-1084137-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2001-03-21 EP claimed
WO-1999064442-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 1999-12-16 WO claimed
EP-0938328-A1 METHOD OF INHIBITING FIBROSIS WITH A SOMATOSTATIN AGONIST Biomeasure Incorporated (US) 1999-09-01 EP claimed
WO-1998008529-A1 METHOD OF INHIBITING FIBROSIS WITH A SOMATOSTATIN AGONIST BIOMEASURE INCORPORATED (US) 1998-03-05 WO claimed
US-5352666-A Using a renin inhibitor SCHERING CORPORATION (US) 1994-10-04 US claimed
EP-0395417-A1 Linear somatostatin analogues The Administrators of The Tulane Educational Fund (US) 1990-10-31 EP claimed