SCHEMBL20213764

SCHEMBL20213764

CC(=O)NC(CSCCC(N)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX15 P16050 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NOS2 P35228 3/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ ICMT O60725 1/20 0.40
▸ GNPAT O15228 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ ECE1 P42892 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35

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
SCHEMBL20213762 1.00 MAPT (0.49) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL31508607 0.89 MAPT (0.40) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL11553457 0.86 MAPT (0.51) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL16097664 0.86 MAPT (0.51) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL12997194 0.85 MAPT (0.44) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL13858556 0.83 MAPT (0.48) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL28756602 0.83 MAPT (0.48) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL21144523 0.82 MAPT (0.52) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL19469426 0.82 BHMT (0.51) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL31405642 0.82 MAPT (0.59) MAPTALDH1A1ALOX15BLMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116148368-A Method for detecting various environmental pollutants and oxidative damage markers in urine 华中科技大学 2023-05-23 — — CN claimed
CN-103512991-A Automatic on-line analysis method for acrylamide mercapt uric acid metabolites in urine ZHENGZHOU TOBACCO RES CNTC 2014-01-15 — — CN claimed
CN-118671244-A Synchronous detection method for evaluating urine biomarkers exposed by various hot processing pollutants and application thereof 浙江大学 2024-09-20 — — CN disclosed
US-20240159775-A1 WASTEWATER-BASED EPIDEMIOLOGY METHODS FOR ASSESSING POPULATION HEALTH ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2024-05-16 — — US disclosed
EP-3548892-B1 METHOD TO ANALYZE COMPOUNDS IN BIOLOGICAL SAMPLES MAGTIVIO B V (NL) 2024-02-21 — — EP disclosed
CN-114582512-A Physiological toxicity kinetic model of rat acrylamide and construction method thereof 浙江大学 2022-06-03 — — CN disclosed
US-11307207-B2 Method to analyze compounds in biological samples magtivio b.v (NL) 2022-04-19 — — US disclosed
US-20190324043-A1 METHOD TO ANALYZE COMPOUNDS IN BIOLOGICAL SAMPLES MAGTIVIO B.V. (NL) 2019-10-24 — — US disclosed
EP-3548892-A1 METHOD TO ANALYZE COMPOUNDS IN BIOLOGICAL SAMPLES Magtivio B.V. (NL) 2019-10-09 — — EP disclosed
WO-2018100195-A1 METHOD TO ANALYZE COMPOUNDS IN BIOLOGICAL SAMPLES MAGNAMEDICS GMBH (DE) 2018-06-07 — — WO disclosed
CN-103512991-A Automatic on-line analysis method for acrylamide mercapt uric acid metabolites in urine ZHENGZHOU TOBACCO RES CNTC 2014-01-15 — — CN disclosed
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