SCHEMBL2469813

SCHEMBL2469813

CCC(Oc1ccc(C(=O)CCc2sc(-c3ccc4ccccc4c3)nc2C(C)C)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.45
PPARD Q03181 10/20 0.45
PPARG P37231 8/20 0.44
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2467674 0.91 PPARD (0.48) PPARAPPARDPPARGRAB9ALMNA
SCHEMBL2465769 0.88 PPARD (0.46) PPARAPPARDPPARGTP53MAPT
SCHEMBL2466281 0.88 PPARA (0.45) PPARAPPARDPPARGSMN1; SMN2LMNA
SCHEMBL2465693 0.86 PPARD (0.50) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL4755245 0.85 SMN1; SMN2 (0.38) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL24656237 0.85 PPARD (0.39) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL30003495 0.85 PPARD (0.39) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL1765907 0.84 PPARD (0.51) PPARAPPARDPPARG
SCHEMBL4809536 0.84 PPARD (0.37) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL12732429 0.84 PPARD (0.42) PPARAPPARDPPARGSMN1; SMN2NPC1

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-1424330-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO (JP) 2011-09-28 EP disclosed