SCHEMBL7976487

SCHEMBL7976487

CCC(Oc1cccc2c1CCc1sc(SCc3ccccc3-c3ccc([N+](=O)[O-])cc3)nc1-2)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
EIF4E P06730 4/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGS2 P35354 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PRKCZ Q05513 1/20 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
SCHEMBL7962801 0.86 PPARA (0.35) PPARAPPARGMAPTMEN1KMT2A
SCHEMBL7521160 0.85 PTGDR2 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7976488 0.85 MEN1 (0.33) PPARAPPARGALDH1A1MAPTMEN1
SCHEMBL7974229 0.81 MAPT (0.38) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7974227 0.81 MAPT (0.38) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7521850 0.80 PPARA (0.37) PPARAPPARGALDH1A1MAPTKMT2A
SCHEMBL7962804 0.79 KMT2A (0.34) PPARAPPARGALDH1A1MAPTMEN1
SCHEMBL7972424 0.77 PPARA (0.37) PPARAPPARGMAPTLMNAALOX5
SCHEMBL7518603 0.76 PTGIR (0.41) PPARAPPARGMAPTMEN1KMT2A
SCHEMBL7976456 0.75 PPARA (0.39) PPARAPPARGMAPTKMT2ALMNA

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed