SCHEMBL27735477

SCHEMBL27735477

CC(C)C(C)(NC(=O)CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CD O00329 1/20 0.37
CTSC P53634 1/20 0.31
GABRR1 P24046 2/20 0.30

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
SCHEMBL27735475 1.00 CYP1A2 (0.39) CYP1A2CYP3A4RECQLMAPK1PIK3CD
SCHEMBL19944907 0.77 PIK3CD (0.61) CYP1A2CYP3A4RECQLMAPK1PIK3CD
SCHEMBL6330224 0.76 ALDH1A1 (0.46) MAPK1
SCHEMBL28057734 0.74 CYP1A2 (0.35) CYP1A2CYP3A4RECQLMAPK1PIK3CD
SCHEMBL9159698 0.74 ALDH1A1 (0.33) MAPK1PIK3CD
Lithium SCHEMBL8741977 0.73 PIK3CD (0.33) PIK3CD
SCHEMBL349826 0.72 CYP1A2 (0.42) CYP1A2CYP3A4RECQLMAPK1
SCHEMBL18843220 0.71 CYP1A2 (0.41) CYP1A2CYP3A4RECQLMAPK1
SCHEMBL19578354 0.71 CA12 (0.33) PIK3CD
SCHEMBL12175227 0.71 CA12 (0.33) PIK3CD

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
CN-101243044-A Novel 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2008-08-13 CN claimed
CN-101243044-A Novel 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2008-08-13 CN disclosed