SCHEMBL11354523

SCHEMBL11354523

COCCOCCOC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.39
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
ECE1 P42892 1/20 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
SCHEMBL16124601 0.86 TYR (0.39) TYRKDM4EALDH1A1SMN1; SMN2MME
SCHEMBL6443625 0.83 TYR (0.41) CAPN1TYRALDH1A1SMN1; SMN2MME
SCHEMBL6443853 0.83 TYR (0.41) CAPN1TYRALDH1A1SMN1; SMN2MME
SCHEMBL3838151 0.82 ALDH1A1 (0.50) CAPN1TYRALDH1A1MMEMEN1
SCHEMBL21458084 0.82 ALDH1A1 (0.50) CAPN1TYRALDH1A1MMEMEN1
SCHEMBL21457984 0.82 ALDH1A1 (0.50) CAPN1TYRALDH1A1MMEMEN1
SCHEMBL13417072 0.82 TYR (0.39) CAPN1TYRKDM4EALDH1A1SMN1; SMN2
SCHEMBL3843124 0.82 ALDH1A1 (0.50) CAPN1TYRALDH1A1MMEMEN1
SCHEMBL3843983 0.82 ALDH1A1 (0.50) CAPN1TYRALDH1A1MMEMEN1
SCHEMBL3837516 0.82 ALDH1A1 (0.50) CAPN1TYRALDH1A1MMEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012957-B1 DIAGNOSTIC MEANS FOR THE DETECTION OF PROTEOLYTIC ENZYMES AND INDOXYL OR THIOINDOXYL ESTER CHROMOGENS USEFUL THEREFOR, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF DIAGNOSTIC MEANS Roche Diagnostics GmbH (DE) 1981-09-16 EP disclosed
US-4278763-A Diagnostic agents for the detection of proteolytic enzymes BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
EP-0012957-A1 Diagnostic means for the detection of proteolytic enzymes and indoxyl or thioindoxyl ester chromogens useful therefor, process for their preparation and their use in the preparation of diagnostic means Roche Diagnostics GmbH (DE) 1980-07-09 EP disclosed