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Flomoxef

Flomoxef

SCHEMBL27896310

C=CC(=O)OC(C)(C)C.CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Flomoxef. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.51
▸ CMA1 P23946 18/20 0.48
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL14423926 0.92 PTGS1 (0.57) PTGS1CMA1HSD17B10TDP1
Flomoxef SCHEMBL49438 0.92 PTGS1 (0.57) PTGS1CMA1HSD17B10TDP1
Flomoxef SCHEMBL65125 0.92 PTGS1 (0.57) PTGS1CMA1HSD17B10TDP1
Flomoxef SCHEMBL2563269 0.72 ABCB11 (0.53) PTGS1CMA1TDP1
SCHEMBL30973633 0.70 CMA1 (0.89) PTGS1CMA1HSD17B10TDP1
SCHEMBL14196601 0.70 CMA1 (0.89) PTGS1CMA1HSD17B10TDP1
SCHEMBL6471075 0.69 CMA1 (0.77) PTGS1CMA1
SCHEMBL6469309 0.68 CMA1 (0.68) PTGS1CMA1
Moxalactam SCHEMBL49017 0.67 PTGS1 (1.00) PTGS1CMA1HSD17B10TDP1
Moxalactam SCHEMBL49016 0.67 PTGS1 (1.00) PTGS1CMA1HSD17B10TDP1

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-102952149-B One-pot synthesis method of flomoxef intermediate ZHEJIANG NHU CO LTD 2015-06-24 — — CN disclosed
CN-102952149-A One-pot synthesis method of flomoxef intermediate ZHEJIANG NHU CO LTD 2013-03-06 — — CN disclosed