SCHEMBL4440559

SCHEMBL4440559

CC(=O)N1CC(O)CC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
ITGB2 P05107 3/20 0.59
ICAM1 P05362 3/20 0.59
ITGAL P20701 3/20 0.59
ACE P12821 3/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ECE1 P42892 5/20 0.52

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
SCHEMBL4440562 1.00 ALOX15 (0.61) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL29648934 0.85 OPRM1 (0.62)
SCHEMBL30921658 0.83 ITGB2 (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3936861 0.83 MCL1 (0.60) ACEMEN1KMT2A
SCHEMBL24403862 0.82 CCKBR (0.57) MEN1KMT2A
SCHEMBL28382507 0.81 MCL1 (0.59) MEN1KMT2A
SCHEMBL28380805 0.81 MCL1 (0.59) MEN1KMT2A
SCHEMBL22498730 0.78 ITGB2 (0.60) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL30310790 0.78 ITGB2 (0.60) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL31036081 0.78 ITGB2 (0.71) ALOX15ITGB2ICAM1ITGALACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117536-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS Beiersdorf AG (DE) 2009-11-18 EP disclosed
WO-2008101693-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS BEIERSDORF AG (DE) 2008-08-28 WO disclosed