SCHEMBL11467766

SCHEMBL11467766

COc1ccc(-c2nc(SCCc3ccccc3)nnc2-c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.59
▸ PTGES O14684 5/20 0.57
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ RORC P51449 1/20 0.45
▸ PTGS2 P35354 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11476538 0.81 TP53 (0.62) TP53PTGESMAPTGAAMGAM
SCHEMBL11479740 0.78 PTGES (0.73) TP53PTGESMAPTPTGS2LMNA
SCHEMBL11244831 0.77 PTGES (0.80) TP53PTGESMAPTGAAMGAM
SCHEMBL11240834 0.74 PTGES (0.90) TP53PTGESMAPTGAAMGAM
SCHEMBL11485855 0.74 KCNH2 (0.41) TP53MAPTGAAALDH1A1LMNA
SCHEMBL11477195 0.74 TP53 (0.55) TP53PTGESMAPTGAAMGAM
SCHEMBL11231108 0.74 PTGES (0.71) TP53PTGESMAPTGAAMGAM
SCHEMBL11243005 0.74 NPSR1 (0.58) TP53PTGESMAPTKDM4EALDH1A1
SCHEMBL11477119 0.72 PTGES (1.00) TP53PTGESMAPTPTGS2
SCHEMBL11467233 0.72 PTGES (0.71) TP53PTGESMAPTGAAMGAM

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-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
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