SCHEMBL8474091

SCHEMBL8474091

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.50
PTPN1 P18031 3/20 0.49
REN P00797 4/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.47
CTSS P25774 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
LTA4H P09960 1/20 0.46
ACE P12821 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
PSMB1 P20618 1/20 0.43
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMB5 P28074 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
SCHEMBL1350878 0.92 PTPN1 (0.57) BCL2PTPN1PPARGPPARACTSS
SCHEMBL1350409 0.92 PTPN1 (0.57) BCL2PTPN1PPARGPPARACTSS
SCHEMBL19190003 0.89 BCL2 (0.52) BCL2PTPN1RENPPARACTSS
SCHEMBL792956 0.86 BCL2 (0.64) BCL2PTPN1RENPPARGPPARA
SCHEMBL8523666 0.85 CTSS (0.52) BCL2PTPN1CTSSCTSLCTSB
SCHEMBL13571256 0.85 PTPN1 (0.51) BCL2PTPN1RENPPARGPPARA
SCHEMBL13571255 0.85 PTPN1 (0.51) BCL2PTPN1RENPPARGPPARA
SCHEMBL13639719 0.84 BCL2 (0.47) BCL2PTPN1RENPPARGPPARA
SCHEMBL19190694 0.84 HDAC8 (0.56) BCL2PTPN1RENCTSSCTSL
SCHEMBL8552202 0.82 BCL2 (0.48) BCL2CTSSCTSLCTSBCTSK

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-1999004792-A1 NOVEL AZATYROSINE ANALOGUES AND PROCESS OF PREPARATION THEREOF TSAI, HANSEN (TW) 1999-02-04 WO disclosed