SCHEMBL30515648

SCHEMBL30515648

COC(=O)C1=C(CSc2nnnn2CCO)CO[C@H]2N1C(=O)[C@]2(NC(=O)CSOC(F)F)OC

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 19/20 0.60
PTGS1 P23219 1/20 0.49

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
Flomoxef SCHEMBL49438 0.86 PTGS1 (0.57) CMA1PTGS1
Flomoxef SCHEMBL14423926 0.86 PTGS1 (0.57) CMA1PTGS1
Flomoxef SCHEMBL27661462 0.85 PTGS1 (0.57) CMA1PTGS1
Flomoxef SCHEMBL65125 0.85 PTGS1 (0.57) CMA1PTGS1
Flomoxef SCHEMBL30716855 0.84 HSD17B10 (0.58) CMA1PTGS1
Flomoxef SCHEMBL30531854 0.84 HSD17B10 (0.58) CMA1PTGS1
Flomoxef SCHEMBL27896310 0.79 PTGS1 (0.51) CMA1PTGS1
Flomoxef SCHEMBL30515667 0.70 PTGS1 (0.44) CMA1PTGS1
SCHEMBL30973633 0.69 CMA1 (0.89) CMA1PTGS1
SCHEMBL14196601 0.69 CMA1 (0.89) CMA1PTGS1

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
CN-116514841-A Preparation method of flomoxef acid impurity 福建省福抗药业股份有限公司 2023-08-01 CN claimed