SCHEMBL22312697

SCHEMBL22312697

NCCCCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
ERAP2 Q6P179 4/20 0.54
LNPEP Q9UIQ6 4/20 0.54
ERAP1 Q9NZ08 2/20 0.53
HPGDS O60760 1/20 0.53
C3AR1 Q16581 1/20 0.53
CTSB P07858 1/20 0.53
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
PLG P00747 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
CASR P41180 1/20 0.48

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
SCHEMBL7390292 1.00 ITGB3 (0.55) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL6810961 1.00 ITGB3 (0.55) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL10374327 0.95 LNPEP (0.53) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL607886 0.94 ITGB3 (0.60) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL607885 0.94 ITGB3 (0.60) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL6807528 0.91 LNPEP (0.54) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL6810906 0.90 HPGDS (0.64) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL1980150 0.90 ITGB3 (0.57) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL1980652 0.90 ITGB3 (0.57) ITGB3ITGA2BERAP2LNPEPERAP1
SCHEMBL8847374 0.90 ITGB3 (0.57) ITGB3ITGA2BERAP2LNPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073603-A The Anetic kinin antagon that is used for the treatment of acute pancreatitis HOECHST AG (DE) 1993-06-30 CN claimed
US-11311653-B2 Central venous catheter, preparation method therefor and medical device comprising same JIANGSU BIOSURF BIOTECH CO., LTD. (CN) 2022-04-26 US disclosed
WO-2020155733-A1 CENTRAL VENOUS CATHETER, PREPARATION METHOD THEREFOR AND MEDICAL DEVICE COMPRISING SAME 江苏百赛飞生物科技有限公司 2020-08-06 WO disclosed
CN-1073603-A The Anetic kinin antagon that is used for the treatment of acute pancreatitis HOECHST AG (DE) 1993-06-30 CN disclosed