SCHEMBL15259727

SCHEMBL15259727

CCCCNC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.59
CTSS P25774 9/20 0.59
CAPN1 P07384 1/20 0.54
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
PTPN1 P18031 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPRA P18433 1/20 0.45
AKT1 P31749 1/20 0.43
CCKBR P32239 1/20 0.43

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
SCHEMBL10825164 0.95 CTSK (0.56) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL3034859 0.85 CTSS (0.58) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL31378231 0.84 CTSK (0.60) CTSKCTSSCAPN1PTPN1MEN1
SCHEMBL24924767 0.83 CTSK (0.62) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL8176189 0.83 CTSK (0.62) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL24096087 0.83 CTSK (0.52) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL30720056 0.82 CTSS (0.55) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL3288414 0.82 CTSK (0.61) CTSKCTSSCAPN1PTPN1
SCHEMBL17885901 0.82 CTSS (0.46) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL13934348 0.81 CTSK (0.60) CTSKCTSSCAPN1CTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2641605-B1 POLYMER DERIVATIVE OF CYTIDINE METABOLISM ANTAGONIST NIPPON KAYAKU KK (JP) 2018-03-07 EP disclosed
EP-2641605-A1 NOVEL POLYMER DERIVATIVE OF CYTIDINE METABOLISM ANTAGONIST Nippon Kayaku Kabushiki Kaisha (JP) 2013-09-25 EP disclosed