SCHEMBL9033407

SCHEMBL9033407

COC(=O)CNC(=O)C1Cc2ccccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.53
PTPN1 P18031 3/20 0.53
TDP1 Q9NUW8 1/20 0.48
NAMPT P43490 1/20 0.47
OPRD1 P41143 1/20 0.45

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
SCHEMBL9033397 1.00 HDAC8 (0.53) HDAC8PTPN1TDP1NAMPTOPRD1
SCHEMBL11986410 0.88 HDAC8 (0.53) HDAC8PTPN1TDP1NAMPT
SCHEMBL6238826 0.85 HDAC8 (0.70) HDAC8PTPN1TDP1NAMPT
SCHEMBL9033817 0.84 HDAC8 (0.64) HDAC8PTPN1TDP1
SCHEMBL9033831 0.84 HDAC8 (0.64) HDAC8PTPN1TDP1
SCHEMBL22962110 0.84 HDAC8 (0.57) HDAC8PTPN1
SCHEMBL14183936 0.83 HDAC8 (0.62) HDAC8PTPN1NAMPTOPRD1
SCHEMBL2737917 0.83 PTPN1 (0.65) HDAC8PTPN1NAMPT
SCHEMBL21490343 0.83 PTPN1 (0.65) HDAC8PTPN1NAMPT
SCHEMBL29443079 0.83 PTPN1 (0.65) HDAC8PTPN1NAMPT

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
EP-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed