SCHEMBL6825527

SCHEMBL6825527

COc1cccc(NC(=O)NCC(C)(C)CC(=O)N(CCC2CCCC2)CC(=O)NO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
MMP3 P08254 1/20 0.43
PPARA Q07869 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTR2A P28223 3/20 0.42
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCR3 P51677 2/20 0.41
CASR P41180 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT1 P42224 1/20 0.40

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
SCHEMBL6825601 0.89 MEN1 (0.43) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL6825882 0.85 CASR (0.45) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL6822304 0.85 TDP1 (0.46) LMNAMMP3PPARAKMT2AMEN1
SCHEMBL6825606 0.83 NPC1 (0.38) NPC1RAB9AMMP3KMT2AMEN1
SCHEMBL6825042 0.81 MEN1 (0.43) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6825521 0.81 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL6825283 0.80 KMT2A (0.42) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6827891 0.80 NPC1 (0.44) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6825496 0.80 ALDH1A1 (0.49) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL6827780 0.80 EPHX2 (0.53) NPC1RAB9AALDH1A1LMNAHTT

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