SCHEMBL4982141

SCHEMBL4982141

CCC(C)C(N)C(=O)NC(C(=O)NC(C(=O)O)C(C)CC)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ENPEP Q07075 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
CTSD P07339 2/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
FPR2 P25090 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
XIAP P98170 1/20 0.40
ANPEP P15144 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL29707133 1.00 ALDH1A1 (0.51) ALDH1A1ENPEPL3MBTL1CTSDCA2
SCHEMBL4982161 1.00 ALDH1A1 (0.51) ALDH1A1ENPEPL3MBTL1CTSDCA2
SCHEMBL30592760 0.98 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1CTSD
SCHEMBL31139305 0.98 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1CTSD
SCHEMBL31139337 0.98 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1CTSD
SCHEMBL29374330 0.95 CTSD (0.47) ALDH1A1ENPEPCTSD
SCHEMBL30051813 0.95 ALDH1A1 (0.45) ALDH1A1ENPEPL3MBTL1CTSD
SCHEMBL30051417 0.94 ALDH1A1 (0.47) ALDH1A1ENPEPL3MBTL1CTSD
SCHEMBL30051530 0.94 ALDH1A1 (0.51) ALDH1A1ENPEPL3MBTL1CTSDCA2
SCHEMBL22210773 0.93 ALDH1A1 (0.54) ALDH1A1ENPEPL3MBTL1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101279095-A Dried composition OTSUKA PHARMA CO LTD (JP) 2008-10-08 CN disclosed
US-20080050438-A1 Dry compositions OTSUKA PHARMACEUTICAL CO., LTD. 2008-02-28 US disclosed
EP-0869816-B1 DRY COMPOSITIONS COMPRISING HYDROPHOBIC STABILIZERS OTSUKA PHARMA CO LTD (JP) 2004-12-15 EP disclosed
EP-1424066-A1 Dry compositions comprising hydrophobic stabilisers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
US-20030138402-A1 Dry compositions OTSUKA PHARMACEUTICAL CO., LTD. 2003-07-24 US disclosed
CN-1205643-A dry composition OTSUKA PHARMA CO LTD (JP) 1999-01-20 CN disclosed