SCHEMBL3947371

SCHEMBL3947371

CC(=O)Oc1ccccc1C(=O)NC(Cc1c[nH]cn1)C(=O)O.CCC(C)C(NC(=O)c1ccccc1OC(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MME P08473 5/20 0.37
▸ ACE P12821 4/20 0.37
▸ CPA1 P15085 4/20 0.37
▸ ACE2 Q9BYF1 4/20 0.37
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ PYGL P06737 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ ECE1 P42892 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3856790 0.91 HSD17B10 (0.48) KMT2AMEN1KDM4EHPGDHSD17B10
SCHEMBL3862144 0.83 MEN1 (0.60) KMT2AMEN1KDM4EHPGDHSD17B10
SCHEMBL3947366 0.81 CD274 (0.39) MMEACECPA1ACE2CYP2C9
SCHEMBL3864877 0.75 ITGB2 (0.45) KMT2AMEN1KDM4EITGB2ICAM1
SCHEMBL8254570 0.74 ALDH1A1 (0.36) KMT2AMEN1MMEACECPA1
SCHEMBL5869126 0.74 ALDH1A1 (0.36) KMT2AMEN1MMEACECPA1
SCHEMBL3856786 0.73 ITGA4 (0.39) KMT2AKDM4EHPGDHSD17B10MME
SCHEMBL3856794 0.73 ITGA4 (0.39) KMT2AKDM4EHPGDHSD17B10MME
SCHEMBL31285803 0.73 ALDH1A1 (0.35) KMT2AMEN1MMEACECPA1
SCHEMBL3857457 0.73 KMT2A (0.57) KMT2AMEN1KDM4EHPGDHSD17B10

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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