SCHEMBL22129697

SCHEMBL22129697

NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.64
ITGA2B P08514 2/20 0.64
CHRNA1 P02708 3/20 0.55
CHRNG P07510 3/20 0.55
CHRNB1 P11230 3/20 0.55
CHRND Q07001 3/20 0.55
CNR2 P34972 4/20 0.54
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
ERAP2 Q6P179 2/20 0.51
LNPEP Q9UIQ6 2/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
FOLH1 Q04609 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
ITGAV P06756 1/20 0.49
GRIA1 P42261 1/20 0.49
F2 P00734 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
SCHEMBL22129699 1.00 ITGB3 (0.64) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL8524876 0.95 ITGB3 (0.62) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL8524877 0.95 ITGB3 (0.62) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL4601261 0.91 F2 (0.55) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL699440 0.91 F2 (0.55) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL20637849 0.87 ITGB3 (0.54) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL9109669 0.86 ITGB3 (0.64) ITGB3ITGA2BERAP2LNPEPFOLH1
SCHEMBL9109661 0.86 ITGB3 (0.64) ITGB3ITGA2BERAP2LNPEPFOLH1
SCHEMBL7027635 0.86 CYP3A4 (0.53) ITGB3ITGA2BFOLH1
SCHEMBL7027632 0.86 CYP3A4 (0.53) ITGB3ITGA2BFOLH1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845887-B1 SKIN SENSITIZATION MEASURING METHOD FUJIFILM CORP (JP) 2024-05-01 EP claimed
EP-4130739-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2023-02-08 EP claimed
US-20230024686-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM CORPORATION (JP) 2023-01-26 US claimed
EP-3901620-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD FUJIFILM Corporation (JP) 2021-10-27 EP claimed
EP-3845887-A1 SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2021-07-07 EP claimed
US-20210181109-A1 METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY FUJIFILM CORPORATION (JP) 2021-06-17 US claimed
WO-2020129509-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD 富士フイルム株式会社 2020-06-25 WO claimed
EP-3845887-B1 SKIN SENSITIZATION MEASURING METHOD FUJIFILM CORP (JP) 2024-05-01 EP disclosed
EP-4130739-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2023-02-08 EP disclosed
US-20230024686-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM CORPORATION (JP) 2023-01-26 US disclosed
EP-3901620-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD FUJIFILM Corporation (JP) 2021-10-27 EP disclosed
EP-3845887-A1 SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2021-07-07 EP disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
US-20210181109-A1 METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY FUJIFILM CORPORATION (JP) 2021-06-17 US disclosed
WO-2020129509-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD 富士フイルム株式会社 2020-06-25 WO disclosed