SCHEMBL3856790

SCHEMBL3856790

CC(=O)Oc1ccccc1C(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ITGB2 P05107 7/20 0.42
▸ ICAM1 P05362 7/20 0.42
▸ ITGAL P20701 7/20 0.42
▸ ITGB3 P05106 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ HMGB1 P09429 1/20 0.42
▸ GGT1 P19440 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3947371 0.91 KMT2A (0.43) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL3864877 0.83 ITGB2 (0.45) KDM4EMEN1KMT2AITGB2ICAM1
SCHEMBL3856794 0.81 ITGA4 (0.39) HSD17B10KDM4EHPGDKMT2AITGB3
SCHEMBL3856786 0.81 ITGA4 (0.39) HSD17B10KDM4EHPGDKMT2AITGB3
SCHEMBL3857457 0.81 KMT2A (0.57) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL21802377 0.79 SLC1A3 (0.44) ITGB3ALDH1A1ITGA2BITGB1ITGA4
SCHEMBL1310656 0.79 ACE (0.48) KMT2AITGB2ICAM1ITGALITGB3
SCHEMBL1310658 0.79 ACE (0.48) KMT2AITGB2ICAM1ITGALITGB3
SCHEMBL5925715 0.79 PTGS2 (0.42) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL3859674 0.78 KDM4E (0.60) HSD17B10KDM4EHPGDMEN1KMT2A

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 10 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
CN-101128117-A Compositions comprising O-acetylsalicyl derivatives of aminosugars and amino acids YU RUEY J (US) 2008-02-20 — — CN claimed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 — — EP claimed
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 — — US claimed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 — — WO claimed
EP-1843661-A4 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2009-01-14 — — EP disclosed
CN-101128117-A Compositions comprising O-acetylsalicyl derivatives of aminosugars and amino acids YU RUEY J (US) 2008-02-20 — — CN disclosed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 — — EP disclosed
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 — — US disclosed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 — — WO disclosed
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