SCHEMBL6225699

SCHEMBL6225699

CC(C)COC(=O)N1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MC4R P32245 1/20 0.47
P2RX4 Q99571 1/20 0.47
KIT P10721 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7526465 0.87 GAA (0.68) GAASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL7832611 0.81 GAA (0.54) GAASMN1; SMN2MAPTALDH1A1MC4R
SCHEMBL114482 0.79 GPR119 (0.53) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4710630 0.78 MAPT (0.51) GAASMN1; SMN2MAPTALDH1A1P2RX4
SCHEMBL5333413 0.77 ALDH1A3 (0.52) GAASMN1; SMN2MAPTALDH1A1KIT
SCHEMBL6225314 0.77 MAPT (0.53) GAASMN1; SMN2MAPTALDH1A1KIT
SCHEMBL5238295 0.76 MAPT (0.42) GAASMN1; SMN2MAPTALDH1A1P2RX4
SCHEMBL6809615 0.75 CKS1B (0.53) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL6472002 0.74 HTR2A (0.48) GAASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL11160876 0.73 MEN1 (0.52) GAASMN1; SMN2MAPTALDH1A1P2RX4

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-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed