SCHEMBL16869653

SCHEMBL16869653

COC1C(O)C(O)C(O)C(O)C1OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.50
▸ CTSB P07858 4/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ CAPN1 P07384 3/20 0.49
▸ CCR1 P32246 1/20 0.46
▸ ELANE P08246 2/20 0.46
▸ PRTN3 P24158 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ CA5A P35218 1/20 0.45

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
SCHEMBL16869750 0.87 ELANE (0.44) CTSLCTSBCTSSCTSKCASP3
SCHEMBL10535596 0.81 TRPM8 (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL10535601 0.81 TRPM8 (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL28892051 0.81 TRPM8 (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL1908598 0.79 CTSK (0.62) CTSLCTSBCTSSCTSKCASP3
SCHEMBL220569 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL2978398 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL1287168 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL8671882 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKCASP3
SCHEMBL13352332 0.77 CTSB (0.57) CTSLCTSBCTSSCTSKCASP3

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-2015099362-A1 D-PINITOL PRODRUG AND METHOD FOR PREPARING SAME 제일약품주식회사 2015-07-02 — — WO disclosed
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