SCHEMBL27218102

SCHEMBL27218102

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ICMT O60725 1/20 0.37
▸ ACE P12821 1/20 0.36
▸ PAM P19021 1/20 0.35
▸ PRNP P04156 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NAALAD2 Q9Y3Q0 2/20 0.33

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
SCHEMBL27218100 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ETHRBALOX15
Ammonia Solution, Strong SCHEMBL30416300 0.98 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL31508459 0.91 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL21144523 0.81 MAPT (0.52) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL6308419 0.80 MAPT (0.59) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL31405642 0.80 MAPT (0.59) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL16745722 0.80 MAPT (0.59) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL4956217 0.80 MAPT (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL15794761 0.80 MAPT (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL14991078 0.80 MAPT (0.50) ALDH1A1MAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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