SCHEMBL29564600

SCHEMBL29564600

CC(C)(O)C1CCc2c([nH]c3c(C(N)=O)cccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
BTK Q06187 19/20 0.54
JAK2 O60674 2/20 0.54
LCK P06239 2/20 0.54
TEC P42680 2/20 0.54
BMX P51813 2/20 0.54
JAK3 P52333 2/20 0.54
ITK Q08881 2/20 0.54
TXK P42681 1/20 0.54
ERBB4 Q15303 1/20 0.54

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
SCHEMBL29785261 1.00 ALOX15 (0.58) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL20303901 0.82 BTK (0.52) BTKJAK2
SCHEMBL20303898 0.82 BTK (0.52) BTKJAK2
SCHEMBL123720 0.80 BTK (0.57) BTKJAK2LCKTECBMX
SCHEMBL19715436 0.80 BTK (0.57) BTKJAK2LCKTECBMX
SCHEMBL19279113 0.80 BTK (0.57) BTKJAK2LCKTECBMX
SCHEMBL19279346 0.78 ALOX15 (0.57) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL147737 0.75 ALOX15 (0.53) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL29785257 0.74 ALDH1A1 (0.64) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL150478 0.74 ALOX15 (1.00) ALOX15MAPK1CASP1CASP7HSD17B10

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-2022081512-A1 COMPOSITIONS AND METHODS OF TREATMENT OF NEUROINFLAMMATORY DISEASES WITH BRUTON'S TYROSINE KINASE INHIBITORS SYNUBI PHARMACEUTICALS LLC (US) 2022-04-21 WO disclosed