SCHEMBL6827730

SCHEMBL6827730

CC(CNC(=O)Nc1ccc(F)cc1F)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6822372 0.93 MEN1 (0.38) POLBMMP1MMP2MMP9MMP8
SCHEMBL6822128 0.91 MEN1 (0.38) RAB9APOLBNPC1MMP1MMP2
SCHEMBL6825840 0.91 MEN1 (0.38) RAB9APOLBNPC1MMP1MMP2
SCHEMBL6824635 0.89 LMNA (0.48) RAB9ANPC1KMT2ALMNA
SCHEMBL6825363 0.87 POLB (0.39) POLBL3MBTL1LMNA
SCHEMBL6822375 0.87 POLB (0.39) POLBL3MBTL1LMNA
SCHEMBL6825333 0.84 RAB9A (0.41) RAB9ANPC1KMT2ALMNA
SCHEMBL6825602 0.83 MEN1 (0.37) RAB9APOLBNPC1PKMKMT2A
SCHEMBL6825571 0.83 MEN1 (0.37) RAB9APOLBNPC1PKMKMT2A
SCHEMBL6825381 0.82 TRPV1 (0.40) RAB9APOLBKMT2AHSD17B10LMNA

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