SCHEMBL8217560

SCHEMBL8217560

CCCCCCCCCCNC(=O)[C@H](CSC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 5/20 0.50
CAPN1 P07384 1/20 0.49
PTPN1 P18031 3/20 0.44
PTPRA P18433 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
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 3/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 1/20 0.40

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
SCHEMBL8508413 1.00 CTSK (0.50) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL8511839 0.92 CTSK (0.51) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL23007632 0.89 CTSK (0.53) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL11113157 0.86 CTSK (0.51) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL13855558 0.84 CTSK (0.49) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL23007877 0.84 CTSK (0.49) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL506750 0.83 CTSK (0.55) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL20542797 0.83 CTSK (0.70) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL20542796 0.83 CTSK (0.70) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL21561570 0.83 CTSK (0.55) CTSKCTSSCAPN1PTPN1PTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037668-A1 TRANSFECTION PARTICLES Boehringer Ingelheim International GmbH (DE) 2000-09-27 EP disclosed
EP-0945138-A1 Transfection particles Université Louis Pasteur de Strasbourg (FR) 1999-09-29 EP disclosed
WO-1999029349-A1 TRANSFECTION PARTICLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1999-06-17 WO disclosed