SCHEMBL2014546

SCHEMBL2014546

Cc1nc(-c2ccc(OCC(C)C)c(C=O)c2)sc1C(=O)OCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.56
TARBP2 Q15633 2/20 0.56
ABCC4 O15439 1/20 0.56
ABCB11 O95342 1/20 0.56
PGR P06401 1/20 0.56
CHRM1 P11229 1/20 0.56
PDE4A P27815 1/20 0.56
BLVRB P30043 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
PPID Q08752 1/20 0.46
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
S1PR1 P21453 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL29555300 0.95 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL457516 0.95 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12816887 0.94 XDH (0.55) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL30254454 0.90 XDH (0.70) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1356995 0.90 XDH (0.70) XDHTARBP2ABCC4ABCB11PGR
Methylamine SCHEMBL2635514 0.88 XDH (0.67) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12186979 0.87 CDC7 (0.50) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL9281637 0.87 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12819579 0.86 XDH (0.55) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1444276 0.84 XDH (0.53) XDHTARBP2ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073617-A1 PROCESSES FOR THE PREPARATION OF FEBUXOSTAT AND SALTS THEREOF CIPLA LIMITED (IN) 2011-06-23 WO disclosed