SCHEMBL8892261

SCHEMBL8892261

COc1ccc(-c2noc(COC(C)=O)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ ATM Q13315 1/20 0.64
▸ MAPT P10636 7/20 0.58
▸ TSHR P16473 5/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SIRT2 Q8IXJ6 2/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ HDAC1 Q13547 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HTT P42858 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL5351217 0.85 SIRT2 (0.73) LMNAMAPTTSHRSIRT2NPC1
SCHEMBL24922866 0.81 SIRT2 (0.47) LMNAATMMAPTTSHRALDH1A1
SCHEMBL6325229 0.81 LMNA (0.76) LMNAATMMAPTTSHRALDH1A1
SCHEMBL8900040 0.80 LMNA (0.66) LMNAATMMAPTTSHRALDH1A1
SCHEMBL30689335 0.79 LMNA (0.49) LMNAATMMAPTTSHRSIRT2
SCHEMBL18105004 0.79 LMNA (0.62) LMNAATMMAPTTSHRALDH1A1
SCHEMBL1567346 0.78 LMNA (1.00) LMNAATMMAPTTSHRALDH1A1
SCHEMBL1313507 0.78 SPHK1 (0.61) SIRT2
SCHEMBL5717772 0.77 LMNA (0.79) LMNAATMMAPTALDH1A1MEN1
SCHEMBL17513948 0.77 SIRT2 (0.65) LMNAATMMAPTTSHRALDH1A1

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 — — WO disclosed
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