SCHEMBL6825491

SCHEMBL6825491

Cc1ccc(NC(=O)NCC(C)(C)CC(=O)N(CCC(C)C)CC(=O)NO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
CASR P41180 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
IDO1 P14902 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL6822076 0.89 MEN1 (0.45) ITGB1ITGA4HDAC3HDAC1HDAC2
SCHEMBL6825606 0.83 NPC1 (0.38) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL6825882 0.82 CASR (0.45) CASRNPC1MAPTMEN1KMT2A
SCHEMBL6822424 0.80 ANPEP (0.45) HDAC1HDAC6MAPTMEN1KMT2A
SCHEMBL6822346 0.80 RAB9A (0.39) NPC1MAPTKMT2AALDH1A1RAB9A
SCHEMBL6822427 0.80 TRPV1 (0.43) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL6825482 0.78 MEN1 (0.39) ITGB1ITGA4HDAC3HDAC1HDAC2
SCHEMBL6825347 0.77 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL6825516 0.77 KMT2A (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6825420 0.77 LMNA (0.40) NPC1MAPTMEN1KMT2AALDH1A1

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed