SCHEMBL6921629

SCHEMBL6921629

COc1cccc(NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC2CCCCC2)C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCKBR P32239 4/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PPARA Q07869 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL6825377 0.94 NPC1 (0.42) NPC1RAB9ATHRBALDH1A1MAPT
SCHEMBL6825521 0.92 NPC1 (0.46) NPC1RAB9ATHRBALDH1A1MAPT
SCHEMBL6827885 0.89 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6827769 0.88 EPHX2 (0.49) NPC1RAB9ATHRBALDH1A1MAPT
SCHEMBL6825035 0.88 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6825501 0.87 EPHX2 (0.48) NPC1RAB9ATHRBALDH1A1MAPT
SCHEMBL6825276 0.87 MEN1 (0.43) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6822405 0.85 KMT2A (0.50) ALDH1A1MAPTMEN1KMT2APPARA
SCHEMBL6827533 0.84 RAB9A (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL6825108 0.84 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTMEN1

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