SCHEMBL878644

SCHEMBL878644

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

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.72
TARBP2 Q15633 2/20 0.72
ABCC4 O15439 1/20 0.72
ABCB11 O95342 1/20 0.72
PGR P06401 1/20 0.72
CHRM1 P11229 1/20 0.72
PDE4A P27815 1/20 0.72
BLVRB P30043 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.72
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
PPID Q08752 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 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
SCHEMBL21156694 0.89 XDH (0.75) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL469542 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL470854 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2635918 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31066924 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL470772 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1357109 0.87 XDH (0.70) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12133608 0.87 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867461 0.87 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867933 0.87 XDH (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012073259-A1 NOVEL PROCESS FOR THE PREPARATION OF FEBUXOSTAT INDOCO REMEDIES LIMITED (IN) 2012-06-07 WO disclosed
US-8142999-B2 HLA alleles associated with adverse drug reactions and methods for detecting such ACADEMIA SINICA (TW) 2012-03-27 US disclosed
US-20110212439-A1 HLA ALLELES ASSOCIATED WITH ADVERSE DRUG REACTIONS AND METHODS FOR DETECTING SUCH ACADEMIA SINICA (TW) 2011-09-01 US disclosed