SCHEMBL6163742

SCHEMBL6163742

CC(C)(C)OC(=O)NCC(C#N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.57
CTSS P25774 6/20 0.53
CTSK P43235 4/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 1/20 0.53
BCL2 P10415 1/20 0.52
SYK P43405 1/20 0.49
PSMB1 P20618 6/20 0.47
PSMB10 P40306 5/20 0.47
PSMB9 P28065 5/20 0.47
PSMB5 P28074 5/20 0.47
PSMB2 P49721 4/20 0.47
PSMB8 P28062 4/20 0.47
MAOB P27338 1/20 0.47
HDAC1 Q13547 1/20 0.47
YAP1 P46937 1/20 0.47

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
SCHEMBL20425275 0.84 SYK (0.53) PTPN1BCL2SYKMAOBHDAC1
SCHEMBL7425243 0.80 SYK (0.51) PTPN1BCL2SYKPSMB1PSMB10
SCHEMBL5525418 0.79 CTSS (0.55) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL28302648 0.79 SYK (0.55) PTPN1CTSSCTSKBCL2SYK
SCHEMBL596575 0.79 HDAC1 (0.67) MAOBHDAC1
SCHEMBL1553476 0.79 SYK (0.54) BCL2SYKMAOBHDAC1
SCHEMBL193474 0.79 PTPN1 (0.73) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL2891538 0.79 PTPN1 (0.73) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL193473 0.79 PTPN1 (0.73) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL5888112 0.79 PTPN1 (0.59) PTPN1CTSSCTSKCTSBCTSL

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-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed