SCHEMBL8575573

SCHEMBL8575573

CCC(Cc1ccc(SCc2coc(C=Cc3ccccc3)n2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.39
CYP1A2 P05177 1/20 0.37
PPARA Q07869 8/20 0.37
PPARD Q03181 2/20 0.37
NR4A2 P43354 1/20 0.36
ERBB2 P04626 3/20 0.35
EPHX2 P34913 3/20 0.35
SLC6A4 P31645 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8575556 1.00 PPARG (0.39) PPARGCYP1A2PPARAPPARDNR4A2
SCHEMBL5759912 0.82 FFAR1 (0.43) ERBB2KDM4EMEN1HPGDKMT2A
SCHEMBL5759910 0.82 FFAR1 (0.43) ERBB2KDM4EMEN1HPGDKMT2A
SCHEMBL8575564 0.80 ERBB2 (0.35) ERBB2KDM4EMEN1HPGDKMT2A
SCHEMBL5758996 0.79 CYP4F2 (0.42) KDM4EHPGDKMT2AL3MBTL1
SCHEMBL5758992 0.79 CYP4F2 (0.42) KDM4EHPGDKMT2AL3MBTL1
SCHEMBL5758262 0.77 ERBB2 (0.39) CYP1A2ERBB2EPHX2KDM4EMEN1
SCHEMBL5758259 0.77 ERBB2 (0.39) CYP1A2ERBB2EPHX2KDM4EMEN1
SCHEMBL5760787 0.73 LTB4R (0.37) PPARGPPARAERBB2KDM4EMEN1
SCHEMBL7959564 0.73 LTB4R (0.37) PPARGPPARAERBB2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed