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SCHEMBL3398137

SCHEMBL3398137

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(NC(C)=O)cc2)NC(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PDE1C Q14123 2/20 0.52
▸ GAA P10253 4/20 0.52
▸ ADORA2B P29275 6/20 0.48
▸ TP53 P04637 1/20 0.45
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL13425669 0.91 MEN1 (0.57) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3398047 0.90 MEN1 (0.60) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3398310 0.90 MEN1 (0.56) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3395695 0.89 MEN1 (0.59) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL13425368 0.88 MEN1 (0.54) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3435815 0.87 MEN1 (0.60) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3398354 0.87 MEN1 (0.64) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3434652 0.87 MEN1 (0.64) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL13425710 0.86 MEN1 (0.52) MAPK1HSD17B10MEN1KMT2APDE1C
SCHEMBL3395613 0.86 MEN1 (0.60) MAPK1HSD17B10MEN1KMT2APDE1C

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed