SCHEMBL6461273

SCHEMBL6461273

CCOC(=O)[C@@H](N)CCSC.NCl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.50
METAP1 P53582 2/20 0.50
PPID Q08752 1/20 0.40
MARS1 P56192 6/20 0.39
NOD1 Q9Y239 2/20 0.38
RNPEP Q9H4A4 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.35
ANPEP P15144 1/20 0.35
ENPEP Q07075 1/20 0.35

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
SCHEMBL1252426 1.00 METAP2 (0.50) METAP2METAP1PPIDMARS1NOD1
SCHEMBL113611 0.96 METAP2 (0.53) METAP2METAP1PPIDMARS1NOD1
SCHEMBL113612 0.96 METAP2 (0.53) METAP2METAP1PPIDMARS1NOD1
SCHEMBL5443843 0.96 METAP2 (0.53) METAP2METAP1PPIDMARS1NOD1
Hydrochloric Acid SCHEMBL134493 0.94 METAP2 (0.51) METAP2METAP1PPIDMARS1NOD1
Hydrochloric Acid SCHEMBL8014832 0.94 METAP2 (0.51) METAP2METAP1PPIDMARS1NOD1
Hydrochloric Acid SCHEMBL2031642 0.94 METAP2 (0.51) METAP2METAP1PPIDMARS1NOD1
SCHEMBL27499137 0.83 MARS1 (0.40) METAP2METAP1MARS1RNPEPANPEP
SCHEMBL1839255 0.82 NOD1 (0.40) METAP2METAP1NOD1CYP2D6CYP2C9
SCHEMBL1839254 0.82 NOD1 (0.40) METAP2METAP1NOD1CYP2D6CYP2C9

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-1601970-A2 DETECTION, MONITORING AND TREATMENT OF CANCER THE OPEN UNIVERSITY (GB) 2005-12-07 EP disclosed
WO-2004081574-A2 DETECTION, MONITORING AND TREATMENT OF CANCER THE OPEN UNIVERSITY (GB) 2004-09-23 WO disclosed