SCHEMBL6825319

SCHEMBL6825319

CC(C)[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FPR2 P25090 1/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
CSGALNACT1 Q8TDX6 1/20 0.38
DGAT1 O75907 1/20 0.37

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
SCHEMBL6827598 0.93 PKM (0.37) PKMMMP1MMP2MMP9MMP8
SCHEMBL6822126 0.91 POLB (0.37) PKMMMP1MMP2MMP9MMP8
SCHEMBL6824628 0.89 ALDH1A1 (0.44) PKMPOLBNPC1RAB9AKMT2A
SCHEMBL6920266 0.88 TDP1 (0.36) PKML3MBTL1
SCHEMBL6922708 0.86 TDP1 (0.36) L3MBTL1KMT2AMEN1
SCHEMBL6825562 0.82 PKM (0.36) PKMMMP1MMP2MMP9MMP8
SCHEMBL6825209 0.82 TAS1R3 (0.48) NPC1RAB9AKMT2AMEN1
SCHEMBL6825505 0.82 RAB9A (0.44) NPC1RAB9A
SCHEMBL6825361 0.82 ALDH1A1 (0.41) POLBKMT2AHSD17B10MEN1
SCHEMBL6822364 0.82 ANPEP (0.48) L3MBTL1KMT2AMEN1

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