Oxfenicine

Oxfenicine

SCHEMBL29849367

N[C@@H](C(=O)O)c1ccc(O)cc1.O=S(=O)(O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.47
SRC P12931 2/20 0.58
HSD17B10 Q99714 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GRM1 Q13255 3/20 0.49
CYP2C9 P11712 3/20 0.49
GRM2 Q14416 2/20 0.49
CYP2C19 P33261 2/20 0.49
GRM8 O00222 2/20 0.47
GRM4 Q14833 2/20 0.47
CYP2D6 P10635 1/20 0.47
GRM6 O15303 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
CYP3A4 P08684 2/20 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
Oxfenicine SCHEMBL652186 0.92 HSD17B10 (0.55) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL124861 0.92 HSD17B10 (0.55) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL122315 0.92 HSD17B10 (0.55) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL3492041 0.90 TDP1 (0.53) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL3500341 0.90 TDP1 (0.53) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL3492039 0.90 TDP1 (0.53) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL28362139 0.88 TDP1 (0.52) SRCHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL13527786 0.82 HSD17B10 (0.61) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL23405810 0.82 LMNA (0.50) SRCHSD17B10ALDH1A1HPGDKDM4E
Oxfenicine SCHEMBL31259364 0.82 LMNA (0.50) SRCHSD17B10ALDH1A1HPGDKDM4E

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-110467537-B Preparation process of L-p-hydroxyphenylglycine 河南新天地药业股份有限公司 2022-10-04 CN disclosed