SCHEMBL8906374

SCHEMBL8906374

CN(C[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.52
CTSS P25774 2/20 0.52
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.40
RAB9A P51151 2/20 0.39
CTSL P07711 1/20 0.39
CYP2C19 P33261 1/20 0.37
CTSC P53634 1/20 0.37
PTPRB P23467 1/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL31757850 0.79 CTSK (0.60) CTSKCTSSCYP3A4ATMRAB9A
SCHEMBL8621692 0.79 CTSK (0.60) CTSKCTSSCYP3A4ATMRAB9A
SCHEMBL6316639 0.79 CTSK (0.41) CTSKCTSSRAB9ACYP2C19CTSC
SCHEMBL6315991 0.79 ALDH1A1 (0.43) CYP3A4RAB9ACYP2C19CTSCALDH1A1
SCHEMBL6315986 0.79 ALDH1A1 (0.43) CYP3A4RAB9ACYP2C19CTSCALDH1A1
SCHEMBL10377814 0.77 CTSK (0.55) CTSKCTSSATMRAB9ACTSL
SCHEMBL10376376 0.77 CTSK (0.55) CTSKCTSSATMRAB9ACTSL
SCHEMBL11021058 0.75 CTSK (0.61) CTSKCTSSATMRAB9ACTSL
SCHEMBL6122022 0.75 CTSK (0.46) CTSKCTSSCYP3A4ATMCTSL
SCHEMBL13932831 0.74 CTSK (0.60) CTSKCTSSRAB9ACTSLCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed