SCHEMBL27264455

SCHEMBL27264455

CC(C)(C)OC(=O)NCc1ccc(COC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.49
NAMPT P43490 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 1/20 0.44
HDAC1 Q13547 2/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
ROCK2 O75116 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 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
SCHEMBL26582560 0.88 NAMPT (0.45) CACNA1BNAMPTGAAL3MBTL1HDAC1
SCHEMBL30608812 0.88 NAMPT (0.45) CACNA1BNAMPTGAAL3MBTL1HDAC1
SCHEMBL10233014 0.83 ALDH1A1 (0.52) CACNA1BNAMPTGAAL3MBTL1HDAC1
SCHEMBL27264491 0.83 GFER (0.45) CACNA1BNAMPTGAAL3MBTL1HDAC1
SCHEMBL26582552 0.83 GFER (0.45) CACNA1BNAMPTGAAL3MBTL1HDAC1
SCHEMBL12072841 0.82 HTR2C (0.53) NAMPTGAAL3MBTL1EPHX1FPR3
SCHEMBL6993991 0.81 EPHX1 (0.59) CACNA1BGAAEPHX1RAB9ASMN1; SMN2
SCHEMBL3180689 0.80 L3MBTL1 (0.61) NAMPTGAAL3MBTL1HDAC1FPR3
SCHEMBL507402 0.80 HDAC6 (0.49) CACNA1BNAMPTGAAL3MBTL1EPHX1
SCHEMBL1491536 0.79 CACNA1B (0.51) CACNA1BNAMPTGAAL3MBTL1HDAC1

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-2023201282-A1 NOVEL GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-19 WO disclosed