SCHEMBL10588348

SCHEMBL10588348

CC(=O)N[C@@H](CSC(=O)c1cccs1)C(=O)NC1CCSC1=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.66
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CTSK P43235 1/20 0.43
MAPT P10636 1/20 0.40
ADAM17 P78536 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38

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
Midesteine SCHEMBL724755 0.80 ELANE (1.00) ELANEMAPK1ALDH1A1CYP1A2KMT2A
SCHEMBL10589615 0.79 MAPT (0.41) ELANEALDH1A1KMT2AMEN1CTSK
SCHEMBL9356448 0.77 ELANE (0.81) ELANEMAPK1ALDH1A1CYP1A2KMT2A
SCHEMBL9630054 0.76 MAPT (0.52) ALDH1A1KMT2AMAPTADAM17ATM
SCHEMBL9630045 0.76 MAPT (0.52) ALDH1A1KMT2AMAPTADAM17ATM
SCHEMBL10587465 0.74 CYP1A2 (0.58) ELANEALDH1A1CYP1A2KMT2AMEN1
SCHEMBL10587067 0.72 KMT2A (0.40) ELANEMAPK1ALDH1A1KMT2AMEN1
SCHEMBL11113900 0.72 MAPK1 (0.78) ELANEMAPK1ALDH1A1CYP1A2KMT2A
SCHEMBL10589133 0.72 ELANE (0.57) ELANEMAPK1ALDH1A1POLB
SCHEMBL21007472 0.69 CYP1A2 (0.73) ELANEALDH1A1CYP1A2KMT2AMEN1

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
EP-0336326-A2 3-Aminodihydrothiophene-2-one peptide derivatives, processes for the preparation and therapeutic use POLI INDUSTRIA CHIMICA S.p.A. (IT) 1989-10-11 EP claimed
EP-0336326-A2 3-Aminodihydrothiophene-2-one peptide derivatives, processes for the preparation and therapeutic use POLI INDUSTRIA CHIMICA S.p.A. (IT) 1989-10-11 EP disclosed