SCHEMBL672483

SCHEMBL672483

CC(C)n1c(C2CC2)c(C=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 7/20 0.40
POLB P06746 4/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 5/20 0.37
ATM Q13315 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
HTR2A P28223 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
SCHEMBL31344375 0.76 LMNA (0.48) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL671977 0.75 POLB (0.44) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL29780042 0.67 BCHE (0.59) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL150044 0.67 BCHE (0.59) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL1429852 0.66 POLB (0.43) LMNAPOLBL3MBTL1MEN1KMT2A
SCHEMBL28441996 0.66 POLB (0.43) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL28438215 0.66 POLB (0.43) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL16377053 0.65 MEN1 (0.39) LMNAALDH1A1CASP1MEN1KMT2A
SCHEMBL11606236 0.65 LMNA (0.43) LMNAALDH1A1HTTPOLBCYP1A2
SCHEMBL31257224 0.65 POLB (0.46) LMNAALDH1A1HTTPOLBCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed