SCHEMBL9178228

SCHEMBL9178228

COc1ccc(-c2nc(COc3cccc(CNO)c3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.55
PPARG P37231 5/20 0.55
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.48
TP53 P04637 2/20 0.47
ROCK1 Q13464 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL9177249 0.89 PPARA (0.61) PPARAPPARGKDM4ETDP1HPGD
SCHEMBL9177050 0.88 PPARA (0.62) PPARAPPARGMAPTTP53
SCHEMBL9262328 0.88 KDM4E (0.55) ALDH1A1KDM4ETDP1HPGDRAB9A
SCHEMBL10520058 0.82 RAB9A (0.55) PPARAPPARGALDH1A1KDM4ETDP1
SCHEMBL9177913 0.80 PPARA (0.59) PPARAPPARGALDH1A1KDM4ETDP1
SCHEMBL9178370 0.79 TDP1 (0.62) PPARAPPARGALDH1A1KDM4ETDP1
SCHEMBL9179031 0.79 KDM4E (0.48) PPARAPPARGALDH1A1KDM4ETDP1
SCHEMBL9179028 0.79 KDM4E (0.48) PPARAPPARGALDH1A1KDM4ETDP1
SCHEMBL10519163 0.78 TP53 (0.49) PPARAPPARGALDH1A1KDM4ETDP1
SCHEMBL9257856 0.78 ALDH1A1 (0.50) PPARAALDH1A1KDM4EHPGDRAB9A

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-5468760-A Treating atherosclerosis, inflammation, and asthma AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-21 US disclosed