SCHEMBL3892302

SCHEMBL3892302

CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
MAPK1 P28482 1/20 0.40
CACNA1H O95180 1/20 0.39
HSD11B1 P28845 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGAV P06756 3/20 0.36
ITGA2B P08514 3/20 0.36
SYK P43405 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
EPHX2 P34913 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL6758474 0.92 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL6758478 0.92 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL27432610 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL3892236 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL7216466 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL6016141 0.76 ITGB3 (0.56) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL6016274 0.76 ITGB3 (0.57) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL6016233 0.76 ITGB3 (0.57) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL6016235 0.76 ITGB3 (0.57) ALDH1A1MEN1KMT2AL3MBTL1HDAC4
SCHEMBL7216308 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed
EP-0905139-B1 5 ring heterocyles, process for preparation, use as inhibitors of leukocyte adhesion and pharmaceutical preparations comprising them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-21 EP disclosed
EP-0842944-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-07-09 EP disclosed
US-5998447-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT AG (DE) 1999-12-07 US disclosed
EP-0905139-A2 5 ring heterocyles, process for preparation, use as inhibitors of leukocyte adhesion and pharmaceutical preparations comprising them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP disclosed
EP-0842944-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed