SCHEMBL15211745

SCHEMBL15211745

COc1cc(OCc2ccc(C)nc2C)cc2scc(OC(C)=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ADK P55263 1/20 0.34
IKBKB O14920 1/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.33
ALDH1A1 P00352 4/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
FPR1 P21462 1/20 0.31

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
SCHEMBL15211275 0.90 PPARD (0.39) POLBADKIKBKBPPARDPPARA
SCHEMBL15211634 0.89 PPARD (0.36) ADKIKBKBPPARDPPARAPPARG
SCHEMBL15211344 0.88 PPARD (0.42) POLBADKIKBKBPPARDPPARA
SCHEMBL17431435 0.88 PPARD (0.34) ADKIKBKBPPARDPPARAPPARG
SCHEMBL15211256 0.88 PPARD (0.35) ADKPPARDPPARAPPARGPARP10
SCHEMBL15211293 0.87 IKBKB (0.34) ADKIKBKBPPARDPPARAPPARG
SCHEMBL15211568 0.86 PPARD (0.33) ADKPPARDPPARAPPARGPDE10A
SCHEMBL15211484 0.86 PPARD (0.33) POLBADKIKBKBPPARDPPARA
SCHEMBL15211438 0.85 PPARD (0.34) ADKPPARDPPARAPPARG
SCHEMBL15211299 0.85 PPARD (0.39) ADKPPARDPPARAPPARGMAOB

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-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed