SCHEMBL6107136

SCHEMBL6107136

CCCCOc1c(C(NC(=O)O)C(C)(C)C)n(CC(C)C)c(=O)c2ccc(-c3nc(C)c(C(N)=O)s3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.37
XDH P47989 5/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
PGR P06401 1/20 0.34
CHRM1 P11229 1/20 0.34
PDE4A P27815 1/20 0.34
BLVRB P30043 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
DPP4 P27487 5/20 0.34
GSK3B P49841 1/20 0.34
PIK3CA P42336 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL6109415 0.88 XDH (0.36) TARBP2XDHABCC4ABCB11PGR
SCHEMBL5238512 0.87 DPP4 (0.34) DPP4PIK3CACYP2C9RXRA
SCHEMBL6108065 0.85 DPP4 (0.44) DPP4
SCHEMBL6108230 0.85 SHMT2 (0.36) DPP4PIK3CAMEN1KMT2APPARA
SCHEMBL5234400 0.84 DPP4 (0.39) TARBP2XDHABCC4ABCB11PGR
SCHEMBL6107869 0.83 DPP4 (0.40) DPP4MEN1KMT2A
SCHEMBL6109017 0.83 HTT (0.32) TARBP2XDHABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL5236389 0.83 DPP4 (0.46) TARBP2DPP4
SCHEMBL5234405 0.82 TARBP2 (0.39) TARBP2XDHABCC4ABCB11PGR
SCHEMBL6107138 0.82 DPP4 (0.37) TARBP2XDHABCC4ABCB11PGR

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
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed