SCHEMBL31385382

SCHEMBL31385382

COC(=O)[C@H](COC(C)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.44
CTSS P25774 6/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CAPN1 P07384 1/20 0.39
PPARA Q07869 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL13044371 1.00 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1688831 0.92 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL16020434 0.88 CYP1A2 (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL19236423 0.87 CYP1A2 (0.58) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1100322 0.87 PPARA (0.51) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1088542 0.87 PPARA (0.51) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL34465210 0.86 CYP1A2 (0.42) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4452913 0.86 CTSS (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL10796108 0.86 CTSS (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL10796111 0.86 CTSS (0.50) CTSKCTSSCTSLCTSBCYP1A2

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-2025038747-A1 MODIFIED THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2025-02-20 WO disclosed