SCHEMBL8932375

SCHEMBL8932375

CCOC(=O)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.69
▸ CTSL P07711 1/20 0.69
▸ ATM Q13315 1/20 0.57
▸ PPID Q08752 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ SYK P43405 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ABCC3 O15438 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ NR3C1 P04150 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
SCHEMBL2943915 0.87 CTSS (0.67) CTSSCTSLATMSYKCTSK
SCHEMBL2943917 0.87 CTSS (0.67) CTSSCTSLATMSYKCTSK
SCHEMBL8932368 0.86 CTSL (0.73) CTSSCTSLATMCTSKCYP1A2
SCHEMBL4804064 0.86 CTSL (0.73) CTSSCTSLATMCTSKCYP1A2
SCHEMBL10949836 0.85 CYP1A2 (0.55) CTSSCTSLPPIDSIRT2SIRT1
SCHEMBL10949832 0.85 CYP1A2 (0.55) CTSSCTSLPPIDSIRT2SIRT1
SCHEMBL17665564 0.83 CTSL (0.64) CTSSCTSLATMHSD17B10CYP1A2
SCHEMBL27976393 0.83 CTSL (0.64) CTSSCTSLATMHSD17B10CYP1A2
SCHEMBL27976394 0.83 CTSL (0.64) CTSSCTSLATMHSD17B10CYP1A2
SCHEMBL7536642 0.83 CTSS (0.56) CTSSCTSLPPIDSIRT2SIRT1

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-1996027370-A1 FREE RADICAL SCAVENGER MOLECULES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-09-12 — — WO disclosed
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