SCHEMBL6825262

SCHEMBL6825262

CC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAPK1 P28482 2/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
BMP1 P13497 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL6825367 0.93 CYP2C19 (0.37) MEN1KMT2AALDH1A1POLBMMP2
SCHEMBL6824826 0.92 RAB9A (0.43) RAB9ANPC1TAS1R3TAS1R1MAPK1
SCHEMBL6822110 0.90 RAB9A (0.41) RAB9ANPC1TAS1R3TAS1R1MAPK1
SCHEMBL6822114 0.90 RAB9A (0.43) RAB9ANPC1TAS1R3TAS1R1MAPK1
SCHEMBL6825851 0.89 TAS1R3 (0.46) RAB9ANPC1TAS1R3TAS1R1POLB
SCHEMBL6825370 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1POLB
SCHEMBL6825246 0.86 EPHX2 (0.47) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL6822345 0.85 TAS1R3 (0.41) RAB9ATAS1R3TAS1R1MAPK1MEN1
SCHEMBL6825256 0.85 CYP2C19 (0.38) RAB9ATAS1R3TAS1R1MEN1KMT2A
SCHEMBL6825910 0.83 MEN1 (0.37) RAB9AMEN1KMT2AALDH1A1POLB

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