SCHEMBL7744529

SCHEMBL7744529

NC(=O)CC(NO)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.46
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
CA2 P00918 3/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30

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
SCHEMBL8452313 1.00 ECE1 (0.46) ECE1ITGB2ICAM1ITGALCA2
Aspartic Acid SCHEMBL21823931 0.82 KMT2A (0.38) ECE1BLMPMP22MEN1KMT2A
SCHEMBL7744531 0.82 SLC22A6 (0.38) ECE1CA2LMNATDP1
SCHEMBL1009371 0.82 ECE1 (0.50) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL5178911 0.82 ECE1 (0.50) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL24915343 0.77 ECE1 (0.44) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL992852 0.77 ECE1 (0.44) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL992850 0.77 ECE1 (0.44) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL14459716 0.77 ECE1 (0.41) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL28425060 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114113560-A Blood metabolism marker for estimating Glomerular Filtration Rate (GFR) and application thereof 彭洪泉 2022-03-01 CN claimed
EP-3861093-A1 DETERGENT POLYMER AND COMPOSITION Italmatch Chemicals S.p.A. (IT) 2021-08-11 EP claimed
WO-2020070544-A1 DETERGENT POLYMER AND COMPOSITION ITALMATCH CHEMICALS S.P.A. (IT) 2020-04-09 WO claimed
US-5929198-A HIGH MOLECULAR WEIGHT POLYMERS MODIFIED WITH N-DERIVATIZED COMPOUNDS NALCO CHEMICAL COMPANY (US) 1999-07-27 US claimed
EP-0832851-A1 Biodegradable poly (amino acids), derivatized amino acid polymers and methods for making the same Nalco Chemical Company (US) 1998-04-01 EP claimed
EP-0831066-A1 Biodegradable Aspartic acid polymers for preventing scale formation in boilers NALCO CHEMICAL COMPANY (US) 1998-03-25 EP claimed
CN-115379831-A Nanoparticles encapsulating small molecules 苏黎世联邦理工学院 2022-11-22 CN disclosed
CN-114113560-A Blood metabolism marker for estimating Glomerular Filtration Rate (GFR) and application thereof 彭洪泉 2022-03-01 CN disclosed
CN-114113560-A Blood metabolism marker for estimating Glomerular Filtration Rate (GFR) and application thereof 彭洪泉 2022-03-01 CN disclosed
US-20220010239-A1 DETERGENT POLYMER AND COMPOSITION ITALMATCH CHEMICALS S.P.A. (IT) 2022-01-13 US disclosed
EP-3861093-A1 DETERGENT POLYMER AND COMPOSITION Italmatch Chemicals S.p.A. (IT) 2021-08-11 EP disclosed
WO-2020070544-A1 DETERGENT POLYMER AND COMPOSITION ITALMATCH CHEMICALS S.P.A. (IT) 2020-04-09 WO disclosed
WO-2012098222-A1 BISPHOSPHONATE-POLYASPARTAMIDE CONJUGATES AS POLYMERIC CARRIERS FOR DRUG TARGETING TO BONES UNIVERSITA' DEGLI STUDI MAGNA GRAECIA DI CATANZARO (IT) 2012-07-26 WO disclosed
WO-2012098222-A1 BISPHOSPHONATE-POLYASPARTAMIDE CONJUGATES AS POLYMERIC CARRIERS FOR DRUG TARGETING TO BONES UNIVERSITA' DEGLI STUDI MAGNA GRAECIA DI CATANZARO (IT) 2012-07-26 WO disclosed
US-6184336-B1 USEFUL AS CHELANTS IN WATER TREATMENT NALCO CHEMICAL COMPANY 2001-02-06 US disclosed
US-5929198-A HIGH MOLECULAR WEIGHT POLYMERS MODIFIED WITH N-DERIVATIZED COMPOUNDS NALCO CHEMICAL COMPANY (US) 1999-07-27 US disclosed
US-5876623-A ANTIDEPOSIT AGENT NALCO CHEMICAL COMPANY (US) 1999-03-02 US disclosed
US-5750070-A POLY(AMINO ACID) POLYMERS THAT INCLUDE HYDROXAMIC ACID-CONTAINING SIDECHAINS NALCO CHEMICAL COMPANY (US) 1998-05-12 US disclosed
EP-0832851-A1 Biodegradable poly (amino acids), derivatized amino acid polymers and methods for making the same Nalco Chemical Company (US) 1998-04-01 EP disclosed
EP-0831066-A1 Biodegradable Aspartic acid polymers for preventing scale formation in boilers NALCO CHEMICAL COMPANY (US) 1998-03-25 EP disclosed