SCHEMBL8740356

SCHEMBL8740356

COC(=O)C[C@H](NC(=S)NCCCN(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36
DNM1 Q05193 1/20 0.35
ALOX15 P16050 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL9805779 0.80 KDM4E (0.46) DNM1ALOX15SUCNR1HPGDKMT2A
SCHEMBL9805775 0.80 KDM4E (0.46) DNM1ALOX15SUCNR1HPGDKMT2A
SCHEMBL8740351 0.77 KMT2A (0.44) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL11246906 0.73 TSHR (0.39) ALDH1A1SMN1; SMN2DNM1SUCNR1KMT2A
SCHEMBL445252 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAADNM1POLB
SCHEMBL8740372 0.69 NPSR1 (0.47) ALDH1A1POLBKMT2A
SCHEMBL11151811 0.68 KDM4E (0.43) MAPTDNM1ALOX15SUCNR1HPGD
SCHEMBL11234189 0.68 KDM4E (0.43) SMN1; SMN2GAADNM1POLBKMT2A
SCHEMBL22043405 0.67 MAPT (0.55) ALDH1A1SMN1; SMN2GAAMAPTALOX15
SCHEMBL1922659 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2DNM1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669002-A4 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES. HOPE CITY (US) 1997-12-10 EP disclosed
EP-0669002-A1 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES CITY OF HOPE (US) 1995-08-30 EP disclosed
US-5432091-A N-terminal sequencing of proteins and peptides CITY OF HOPE (US) 1995-07-11 US disclosed
WO-1995008119-A1 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES CITY OF HOPE (US) 1995-03-23 WO disclosed