SCHEMBL6916052

SCHEMBL6916052

CC(C)(C)OC(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
MAPT P10636 10/20 0.50
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALOX15 P16050 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
STAT1 P42224 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GPR119 Q8TDV5 3/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49

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
SCHEMBL8159908 0.98 MAPT (0.51) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2300900 0.86 USP2 (0.54) NPC1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL14157779 0.86 GPR119 (0.54) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL23051649 0.84 GPR119 (0.47) MAPTALDH1A1SMN1; SMN2LMNAGPR119
SCHEMBL5536717 0.84 ALDH1A1 (0.55) MAPTALDH1A1LMNATSHRHSD17B10
SCHEMBL20443678 0.83 USP2 (0.63) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL7379091 0.83 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL12551039 0.83 ALDH1A1 (0.71) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL23051648 0.83 GPR119 (0.55) MAPTALDH1A1SMN1; SMN2LMNAGPR119
SCHEMBL1930818 0.83 GPR119 (0.46) MAPTALDH1A1SMN1; SMN2LMNAGPR119

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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed