SCHEMBL29501744

SCHEMBL29501744

COC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3CCO)COC12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.55
ELANE P08246 2/20 0.44
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
PPARG P37231 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL29727496 0.86 ELANE (0.44) CMA1ELANENR1I2PGRPPARG
SCHEMBL29501762 0.85 ELANE (0.43) CMA1ELANENR1I2PGRPPARG
SCHEMBL29449939 0.82 HSD17B10 (0.43) CMA1ELANEPTGS1
SCHEMBL11136064 0.79 SLC6A4 (0.52) CMA1NR1I2PGRPPARGSLC22A6
SCHEMBL29501735 0.78 CMA1 (0.40) CMA1ELANE
SCHEMBL29856127 0.76 NR1I2 (0.61) CMA1ELANENR1I2PGRPPARG
SCHEMBL11242921 0.74 CMA1 (0.75) CMA1ELANEPTGS1
SCHEMBL11242914 0.74 CMA1 (0.75) CMA1ELANEPTGS1
SCHEMBL11497346 0.73 ELANE (0.40) CMA1ELANEPTGS1SLC6A4
SCHEMBL11084231 0.73 HSD17B10 (0.53) CMA1NR1I2PGRPPARGSLC22A6

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
CN-114315865-A Flomoxef process impurity and preparation method thereof 北京济美堂医药研究有限公司 2022-04-12 CN claimed
CN-114315865-A Flomoxef process impurity and preparation method thereof 北京济美堂医药研究有限公司 2022-04-12 CN disclosed