SCHEMBL28134652

SCHEMBL28134652

COC(=O)N[C@H](C=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
CTSB P07858 6/20 0.58
CTSL P07711 3/20 0.58
CTSH P09668 2/20 0.58
CAPN1 P07384 4/20 0.56

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
SCHEMBL8918730 1.00 CTSK (0.58) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL24534164 1.00 CTSK (0.58) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL7413026 0.86 CTSK (0.57) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL7288757 0.86 CTSK (0.57) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL9083440 0.86 CTSK (0.57) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL7796647 0.86 CTSK (0.47) CTSKCTSBCTSLCTSH
SCHEMBL1094506 0.85 ATM (0.62) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL7094 0.85 ATM (0.62) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL390555 0.85 ATM (0.62) CTSKCTSBCTSLCTSHCAPN1
SCHEMBL630290 0.84 CTSB (0.66) CTSBCTSLCAPN1

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
CN-106456614-A Hptp-beta inhibitors 爱尔皮奥治疗有限公司 2017-02-22 CN disclosed