SCHEMBL4563526

SCHEMBL4563526

CCc1ccc2c(=O)c3cccc(OC(C)=O)c3oc2c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MAOA P21397 4/20 0.41
ABCB1 P08183 1/20 0.40
FPR1 P21462 2/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADORA1 P30542 1/20 0.40
LTB4R Q15722 1/20 0.40
GLA P06280 1/20 0.40
STING1 Q86WV6 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MPI P34949 1/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL4422467 0.99 MAPT (0.42) MAPTMAOAABCB1FPR1KDM4E
SCHEMBL3649676 0.78 GLA (0.57) MAPTMAOAKDM4EALDH1A1LMNA
SCHEMBL4563524 0.77 STING1 (0.67) ABCB1KDM4ELTB4RGLASTING1
SCHEMBL27799994 0.77 GLA (0.56) MAPTMAOAKDM4EALDH1A1LMNA
SCHEMBL4422470 0.76 STING1 (0.65) ABCB1KDM4ELTB4RGLASTING1
SCHEMBL4422473 0.76 STING1 (0.65) ABCB1KDM4ELTB4RGLASTING1
SCHEMBL4849595 0.76 MAOA (0.68) MAPTMAOAKDM4EALDH1A1LMNA
SCHEMBL4422465 0.75 GLA (0.51) KDM4ELTB4RGLASTING1GAA
SCHEMBL7235919 0.73 KDM4E (0.49) MAPTMAOAKDM4EALDH1A1LMNA
SCHEMBL11747126 0.71 ADORA2A (0.40) FPR1KDM4EALDH1A1ADORA2AADORA3

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-2009156459-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed