SCHEMBL7868084

SCHEMBL7868084

CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.58
HTT P42858 1/20 0.49
FFAR2 O15552 1/20 0.47
NOTUM Q6P988 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.43
AHR P35869 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43

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
SCHEMBL7403819 0.84 MMP2 (0.50) NAMPTFFAR2TSHR
SCHEMBL349933 0.82 NAMPT (0.80) NAMPTHTTRAB9ANPC1SMN1; SMN2
SCHEMBL29457342 0.82 NAMPT (0.80) NAMPTHTTRAB9ANPC1SMN1; SMN2
SCHEMBL7501736 0.81 NAMPT (0.54) NAMPTHTTNOTUMRAB9ANPC1
SCHEMBL7501741 0.81 NAMPT (0.54) NAMPTHTTNOTUMRAB9ANPC1
SCHEMBL7501728 0.81 NAMPT (0.54) NAMPTHTTNOTUMRAB9ANPC1
SCHEMBL7494330 0.80 NAMPT (0.53) NAMPTHTTNOTUMRAB9ASMN1; SMN2
SCHEMBL7494334 0.80 NAMPT (0.53) NAMPTHTTNOTUMRAB9ASMN1; SMN2
SCHEMBL829136 0.79 CTSK (0.58) NAMPT
SCHEMBL7505025 0.78 HDAC4 (0.50) NAMPTHTTNOTUMRAB9ANPC1

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed