SCHEMBL3386201

SCHEMBL3386201

COc1ccc(-c2ccc(-c3nc(C)c(OC(=O)O)s3)cc2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 15/20 0.58
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
BLVRB P30043 1/20 0.46
TARBP2 Q15633 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
DGAT1 O75907 1/20 0.42
S1PR1 P21453 1/20 0.41

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
SCHEMBL2720313 0.90 XDH (0.54) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3379631 0.90 XDH (0.48) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3381359 0.90 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL2721061 0.88 XDH (0.50) XDHABCC4ABCB11PGRCHRM1
SCHEMBL1331619 0.87 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
SCHEMBL2719649 0.86 XDH (0.45) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3385772 0.84 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL16762585 0.77 XDH (0.54) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523348 0.77 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL1357815 0.77 XDH (0.68) XDHABCC4ABCB11PGRCHRM1

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
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP claimed