SCHEMBL4536009

SCHEMBL4536009

C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.57
▸ ICAM1 P05362 3/20 0.57
▸ ITGAL P20701 3/20 0.57
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ SLC6A5 Q9Y345 1/20 0.54
▸ CYP3A4 P08684 3/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ SLC15A2 Q16348 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ EPHX2 P34913 1/20 0.47
▸ AGTR2 P50052 1/20 0.46
▸ GGT1 P19440 1/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GABRA1 P14867 1/20 0.44

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
SCHEMBL24106906 1.00 ITGB2 (0.57) ITGB2ICAM1ITGALCA1CA2
Hydrochloric Acid SCHEMBL28591529 0.99 ITGB2 (0.56) ITGB2ICAM1ITGALCA1CA2
SCHEMBL28274103 0.87 ITGB2 (0.58) ITGB2ICAM1ITGALCA1CA2
SCHEMBL29160709 0.86 CYP3A4 (0.50) ITGB2ICAM1ITGALCA1CA2
SCHEMBL4535076 0.85 HTR1D (0.48) ITGB2ICAM1ITGALCA1CA2
SCHEMBL19951587 0.84 ITGB2 (0.51) ITGB2ICAM1ITGALCA1CA2
SCHEMBL27413426 0.84 ITGB2 (0.67) ITGB2ICAM1ITGALCA1CA2
SCHEMBL29222912 0.83 ITGB2 (0.46) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL6026427 0.81 ITGB2 (0.64) ITGB2ICAM1ITGALCA1CA2
SCHEMBL14952736 0.81 ITGB2 (0.61) ITGB2ICAM1ITGALCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912927-A Corrosion inhibitor for oilfield acidification and preparation method thereof 东营江源化工有限公司 2025-05-02 — — CN claimed
CN-118085343-B Preparation method of amino acid-based polypeptide hydrogel with antibacterial activity 江苏惠利生物科技有限公司 2024-06-21 — — CN claimed
CN-118085343-A Preparation method of amino acid-based polypeptide hydrogel with antibacterial activity 江苏惠利生物科技有限公司 2024-05-28 — — CN claimed
CN-110684150-B Amino acid nano hydrogel and preparation method and application thereof 南方医科大学 2021-05-11 — — CN claimed
CN-110684150-A Amino acid nano hydrogel and preparation method and application thereof 南方医科大学 2020-01-14 — — CN claimed
EP-1190726-B1 Liquefied embolic materials capable of sol-gel phase transition and their use KWANGJU INST SCI & TECH (KR) 2004-06-09 — — EP claimed
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 — — US claimed
US-5780578-A Synthetic polymer exhibiting hydrolytic activity, its preparation and use for conversion of esters and amides to the corresponding alcohol and amine COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-07-14 — — US claimed
US-5104729-A PROCESS FOR SURFACE MODIFYING A SUPPORT MEMBRANE AND PRODUCT PRODUCED MONSANTO COMPANY (US) 1992-04-14 — — US claimed
EP-0474617-A1 Process for surface modifying a support membrane MONSANTO COMPANY (US) 1992-03-11 — — EP claimed
CN-119912927-A Corrosion inhibitor for oilfield acidification and preparation method thereof 东营江源化工有限公司 2025-05-02 — — CN disclosed
CN-118085343-B Preparation method of amino acid-based polypeptide hydrogel with antibacterial activity 江苏惠利生物科技有限公司 2024-06-21 — — CN disclosed
CN-114405545-B Cellulose inscription mimic enzyme, construction method and application thereof 河南科技大学 2024-06-07 — — CN disclosed
CN-118085343-A Preparation method of amino acid-based polypeptide hydrogel with antibacterial activity 江苏惠利生物科技有限公司 2024-05-28 — — CN disclosed
CN-114405545-A Cellulose endoblotting mimic enzyme, construction method and application thereof 河南科技大学 2022-04-29 — — CN disclosed
EP-1190726-A2 Liquefied embolic materials capable of sol-gel phase transition and their use Kwangju Institute of Science and Technology (KR) 2002-03-27 — — EP disclosed
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 — — US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 — — EP disclosed
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