SCHEMBL4755237

SCHEMBL4755237

CCC(=O)OOc1ccc(C(=O)CCc2sc(-c3ccc(OC)cc3)nc2C(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
TP53 P04637 6/20 0.38
LMNA P02545 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
THRB P10828 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.38
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX5 P09917 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4754239 0.92 MAPT (0.41) MAPTTP53LMNAPPARGPPARD
SCHEMBL1765935 0.84 PPARD (0.46) MAPTTP53LMNAPPARGPPARD
SCHEMBL1765940 0.84 PTGDR2 (0.42) MAPTPPARGPPARDPPARAPTGDR2
SCHEMBL12732419 0.84 MAPT (0.40) MAPTTP53LMNAPPARGPPARD
SCHEMBL30003978 0.84 MAPT (0.41) MAPTTP53LMNAPPARGPPARD
SCHEMBL24658530 0.84 MAPT (0.41) MAPTTP53LMNAPPARGPPARD
SCHEMBL2460952 0.83 PPARD (0.45) MAPTTP53LMNAPPARGPPARD
SCHEMBL2460958 0.83 PTGDR2 (0.40) MAPTTP53LMNAPPARGPPARD
SCHEMBL2460955 0.83 PPARD (0.38) MAPTTP53LMNAPPARGPPARD
SCHEMBL4809536 0.82 PPARD (0.37) MAPTTP53LMNAPPARGPPARD

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
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed