SCHEMBL7977798

SCHEMBL7977798

COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)C(C(=O)N1CCCC1C(N)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.45
UCHL1 P09936 3/20 0.42
PTPN1 P18031 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP30 Q70CQ3 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL864906 0.85 ESR2 (0.48) HDAC8UCHL1PTPN1HSD17B10LMNA
SCHEMBL864907 0.85 ESR2 (0.48) HDAC8UCHL1PTPN1HSD17B10LMNA
SCHEMBL7988510 0.84 UCHL1 (0.52) HDAC8UCHL1HSD17B10LMNANPSR1
SCHEMBL7989792 0.84 DPP4 (0.51) HDAC8
SCHEMBL7989711 0.84 DPP4 (0.51) HDAC8
SCHEMBL7989939 0.80 HDAC8 (0.48) HDAC8PTPN1USP30
SCHEMBL864979 0.80 HDAC8 (0.48) HDAC8UCHL1PTPN1
SCHEMBL5204183 0.79 AGTR2 (0.51) HDAC8PTPN1
SCHEMBL7229378 0.79 AGTR2 (0.51) HDAC8PTPN1
SCHEMBL1724314 0.78 HDAC8 (0.47) HDAC8PTPN1KMT2A

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
US-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed