SCHEMBL8554176

SCHEMBL8554176

CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.74
CTSK P43235 7/20 0.74
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55
MMP2 P08253 1/20 0.55
CYP3A4 P08684 5/20 0.52
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MMP14 P50281 1/20 0.48
TACR1 P25103 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL17137921 0.89 CTSS (0.77) CTSSCTSKMMP9MMP8CYP3A4
SCHEMBL17137918 0.89 CTSS (0.77) CTSSCTSKMMP9MMP8CYP3A4
SCHEMBL613640 0.89 CTSS (0.76) CTSSCTSKCYP3A4CTSLMME
SCHEMBL29401990 0.89 CTSS (0.76) CTSSCTSKCYP3A4CTSLMME
SCHEMBL4600435 0.89 CTSS (0.76) CTSSCTSKCYP3A4CTSLMME
SCHEMBL4122289 0.89 CTSS (0.76) CTSSCTSKCYP3A4CTSLMME
SCHEMBL7860818 0.86 CTSS (0.79) CTSSCTSKCYP3A4CTSLCTSB
SCHEMBL5556848 0.85 CTSS (0.67) CTSSCTSKMMP9MMP8CYP3A4
SCHEMBL5557360 0.84 CTSS (0.66) CTSSCTSKMMP9MMP8CYP3A4
SCHEMBL16459632 0.84 CTSS (0.66) CTSSCTSKMMP9MMP8CYP3A4

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
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed