SCHEMBL4296288

SCHEMBL4296288

COc1ccc(-c2nc(C)c(CO)s2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
TP53 P04637 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2C P28335 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HCRTR1 O43613 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PLK1 P53350 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
IDO1 P14902 1/20 0.37
HPGDS O60760 1/20 0.37
ACACA Q13085 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3436696 0.85 PTGDR2 (0.50) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL4442345 0.80 HTR2C (0.56) ALDH1A1HTR2CKDM4E
SCHEMBL3436700 0.78 CYP1A1 (0.51) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL3435491 0.77 HSP90AA1 (0.44) MAPTTP53ALDH1A1KDM4EPTGDR2
SCHEMBL3436689 0.75 TRPM8 (0.41) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL13801365 0.74 PPARD (0.74)
SCHEMBL13801349 0.73 PPARD (0.63) MAPTMEN1ALDH1A1KMT2A
SCHEMBL3371195 0.73 ALDH1A1 (0.50) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL3077683 0.71 SMN1; SMN2 (0.56) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL19936515 0.70 PTGDR2 (0.47) TP53MEN1ALDH1A1KMT2ANPC1

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-2009078981-A2 PPAR-DELTA LIGANDS AND METHODS OF THEIR USE SRI INTERNATIONAL (US) 2009-06-25 WO disclosed