SCHEMBL31022555

SCHEMBL31022555

Cc1c(Nc2ncc(O)cc2C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69
▸ TAS2R14 Q9NYV8 5/20 0.60
▸ CYP1A2 P05177 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PIK3CD O00329 1/20 0.44
▸ PIK3C2B O00750 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ SORT1 Q99523 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL26643080 1.00 DHODH (0.69) DHODHHDAC6TAS2R14CYP1A2HIF1A
SCHEMBL22833403 0.88 DHODH (0.69) DHODHHDAC6TAS2R14CYP1A2HIF1A
SCHEMBL29380515 0.88 DHODH (0.69) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL42911 0.82 DHODH (1.00) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL31696761 0.82 DHODH (1.00) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL29439899 0.82 DHODH (1.00) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL8325584 0.82 DHODH (1.00) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL28754969 0.81 DHODH (0.98) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL4117904 0.81 DHODH (0.98) DHODHHDAC6TAS2R14CYP1A2HIF1A
Flunixin SCHEMBL28644103 0.80 DHODH (0.95) DHODHHDAC6TAS2R14CYP1A2HIF1A

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-116813537-B Preparation method and application of novel flunixin hapten 深圳市绿诗源生物技术有限公司 2024-09-17 — — CN disclosed
CN-118465258-A Test strip and method for detecting flunixin meglumine and metabolite thereof 北京勤邦科技股份有限公司 2024-08-09 — — CN disclosed
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