SCHEMBL8338774

SCHEMBL8338774

CC(=O)NNCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ANPEP P15144 4/20 0.37
RNPEP Q9H4A4 3/20 0.37
DNPEP Q9ULA0 3/20 0.37
CA1 P00915 2/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KISS1R Q969F8 1/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HIF1A Q16665 1/20 0.32
PKM P14618 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL800814 0.75
SCHEMBL8844118 0.75
SCHEMBL14198294 0.73 LMNA (0.40) HDAC3HDAC8SMN1; SMN2GAAALDH1A1
SCHEMBL28071405 0.73 LMNA (0.35) HDAC3HDAC8ANPEPRNPEPDNPEP
SCHEMBL4864289 0.72
SCHEMBL3891234 0.72
SCHEMBL4569621 0.71 MEN1 (0.45) CA1GAATDP1MAPK1
SCHEMBL11093093 0.70
SCHEMBL22343804 0.70
SCHEMBL5596142 0.68 ADRA1A (0.45) HDAC3HDAC8KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109121414-A Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2019-01-01 CN disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed