SCHEMBL3947366

SCHEMBL3947366

CC(=O)Oc1ccccc1CNC(Cc1c[nH]cn1)C(=O)O.CCC(C)C(NCc1ccccc1OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.39
▸ PDCD1 Q15116 5/20 0.39
▸ MME P08473 4/20 0.39
▸ ACE P12821 4/20 0.39
▸ CPA1 P15085 4/20 0.39
▸ ACE2 Q9BYF1 4/20 0.39
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ ELANE P08246 1/20 0.32

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
SCHEMBL3856794 0.92 ITGA4 (0.39) CD274PDCD1MMEACECPA1
SCHEMBL3856786 0.92 ITGA4 (0.39) CD274PDCD1MMEACECPA1
SCHEMBL3862142 0.82 CYP2C9 (0.43) CD274PDCD1MMEACECPA1
SCHEMBL3862145 0.82 CYP2C9 (0.43) CD274PDCD1MMEACECPA1
SCHEMBL3947371 0.81 KMT2A (0.43) MMEACECPA1ACE2ITGA4
SCHEMBL7345574 0.76 KDM4E (0.43) CD274PDCD1ALDH1A1GAA
SCHEMBL2229634 0.75 POLB (0.41) ITGA4ITGB7ALDH1A1GAA
SCHEMBL6239442 0.75 POLB (0.41) ITGA4ITGB7ALDH1A1GAA
SCHEMBL5869126 0.75 ALDH1A1 (0.36) MMEACECPA1ACE2ALDH1A1
SCHEMBL8254570 0.75 ALDH1A1 (0.36) MMEACECPA1ACE2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1843661-A4 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2009-01-14 — — EP claimed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 — — EP claimed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 — — WO claimed
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