SCHEMBL4815472

SCHEMBL4815472

CC1(C)C[CH]N(C(=O)c2ccc3c(c2)OCO3)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
SRD5A2 P31213 1/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL4815481 0.77 HPGD (0.66) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL4815471 0.77 HPGD (0.66) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL4342175 0.75 HPGD (0.62) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL4353434 0.74 HPGD (0.61) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL4818095 0.73 MAPK1 (0.43) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL4813567 0.71 POLB (0.48) HPGDALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL108225 0.71 ALDH1A1 (0.90) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL4818078 0.71 MAPK14 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL6281941 0.70 HPGD (0.69) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL11629969 0.70 ALDH1A1 (0.65) HPGDALDH1A1HSD17B10CYP1A2CYP3A4

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
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP claimed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed