SCHEMBL6825244

SCHEMBL6825244

CC(C)(C)[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 6/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 4/20 0.36
MMP3 P08254 2/20 0.36
BMP1 P13497 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL6822309 0.93 TAS1R3 (0.47) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6827632 0.91 TAS1R3 (0.44) MEN1KMT2ATAS1R3TAS1R1NPC1
SCHEMBL6923278 0.88 TAS1R3 (0.38) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6922062 0.86 SMN1; SMN2 (0.38) MEN1KMT2ANPC1RAB9AMMP2
SCHEMBL6824826 0.86 RAB9A (0.43) MAPK1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL6825256 0.86 CYP2C19 (0.38) MEN1KMT2ATAS1R3TAS1R1RAB9A
SCHEMBL6825943 0.85 KMT2A (0.44) MEN1KMT2ATAS1R3TAS1R1NPC1
SCHEMBL6825963 0.85 ALDH1A1 (0.46) MEN1KMT2ATAS1R3TAS1R1NPC1
SCHEMBL6822301 0.85 ALDH1A1 (0.46) MEN1KMT2ATAS1R3TAS1R1NPC1
SCHEMBL6825851 0.85 TAS1R3 (0.46) TAS1R3TAS1R1NPC1RAB9AMMP2

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