SCHEMBL8968093

SCHEMBL8968093

CC(=O)Cl.CC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MME P08473 2/20 0.39
RAB9A P51151 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
TP53 P04637 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL330011 0.92
SCHEMBL330009 0.92
SCHEMBL330308 0.92
Ammonia Solution, Strong SCHEMBL28164672 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
SCHEMBL29078952 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
Hydrochloric Acid SCHEMBL28235390 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
Ammonia Solution, Strong SCHEMBL28164671 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
SCHEMBL11433892 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
SCHEMBL29078950 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB
SCHEMBL3373326 0.83 MME (0.47) ALDH1A1SMN1; SMN2MAPTKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512467-A USED IN DIAGNOSIS OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 1996-04-30 US disclosed
EP-0378224-B1 Method of detecting small cell carcinoma and use of acylpeptide hydrolase encoding sequences therefor GEN HOSPITAL CORP (US) 1995-08-23 EP disclosed
US-5268267-A Using nucleic acid; hybridization THE GENERAL HOSPITAL CORPORATION (US) 1993-12-07 US disclosed
WO-1990008457-A2 METHOD OF DETECTING SMALL CELL CARCINOMA AND USE OF ACYL-PEPTIDE HYDROLASE AND CODING SEQUENCES THEREFOR THE GENERAL HOSPITAL CORPORATION (US) 1990-08-09 WO disclosed
EP-0378224-A2 Method of detecting small cell carcinoma and use of acylpeptide hydrolase encoding sequences therefor THE GENERAL HOSPITAL CORPORATION (US) 1990-07-18 EP disclosed