SCHEMBL360729

SCHEMBL360729

N[C@@H](CS)C(=O)OC(=O)c1ncco1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.33
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
FAAH O00519 7/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
CHRNA4 P43681 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
Cysteine SCHEMBL360728 0.76 PTGS1 (0.50) CES1HDAC3HDAC4HDAC1HDAC7
Cysteine SCHEMBL1983782 0.76 PTGS1 (0.50) CES1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1987510 0.73 CES1 (0.37) CES1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3422408 0.73 KMT2A (0.47) CES1
SCHEMBL357653 0.71 ALDH1A1 (0.41) CES1PTGS1SLC7A11
SCHEMBL15418894 0.70 HDAC3 (0.40) CES1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2422303 0.69 FAAH (0.43) CES1FAAH
SCHEMBL1964879 0.69 PTGS1 (0.55) PTGS1SLC7A11
SCHEMBL20657045 0.69 PTGS1 (0.55) PTGS1SLC7A11
Hydrochloric Acid SCHEMBL11053789 0.67 PTGS1 (0.52) PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 US disclosed
EP-3334498-B1 METHODS OF TREATING VOLUME DEPLETION AND KIDNEY INJURY UNIV COLUMBIA (US) 2023-06-07 EP disclosed
US-11119104-B2 Methods of treating volume depletion and kidney injury THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-09-14 US disclosed
US-10968269-B1 MHC multimers in borrelia diagnostics and disease AGILENT TECHNOLOGIES, INC. (US) 2021-04-06 US disclosed
US-20210047383-A1 MHC Multimers in Borrelia Diagnostics and Disease DAKO DENMARK APS (DK) 2021-02-18 US disclosed
US-20200347103-A1 MHC MULTIMERS IN TUBERCULOSIS DIAGNOSTICS, VACCINE AND THERAPEUTICS AGILENT TECHNOLOGIES INC (US) 2020-11-05 US disclosed
US-10611818-B2 MHC multimers in tuberculosis diagnostics, vaccine and therapeutics AGILENT TECHNOLOGIES, INC. (US) 2020-04-07 US disclosed
US-20190314471-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES, INC. 2019-10-17 US disclosed
US-10369204-B2 Molecular vaccines for infectious disease DAKO DENMARK A/S (DK) 2019-08-06 US disclosed
EP-3334498-A1 METHODS OF TREATING VOLUME DEPLETION AND KIDNEY INJURY The Trustees of Columbia University in the City of New York (US) 2018-06-20 EP disclosed
WO-2003020897-A2 COMPOSITIONS AND METHODS RELATING TO OVARY SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020901-A2 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020900-A2 COMPOSITIONS AND METHODS RELATING TO BREAST SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020899-A2 COMPOSITIONS AND METHODS RELATING TO LUNG SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020934-A1 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020953-A2 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
US-20020102610-A1 Automated identification of peptides OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-08-01 US disclosed
US-20020055186-A1 Detection of peptides OXFORD GLYCOSCIENCES (UK) LTD. 2002-05-09 US disclosed
WO-2002025287-A2 DETECTION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-28 WO disclosed
WO-2002021139-A2 AUTOMATED IDENTIFICATION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-14 WO disclosed