SCHEMBL6208445

SCHEMBL6208445

CN(C)CCCOC(=O)c1cc2cccccc-2c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
ALDH1A1 P00352 4/20 0.56
CNR2 P34972 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LSS P48449 1/20 0.50
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
MAPT P10636 1/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.48

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
SCHEMBL11287086 0.87 GAA (0.71) GAAALDH1A1MAPK1HSD17B10TDP1
SCHEMBL14218219 0.84 GAA (0.62) GAAALDH1A1CNR2MAPK1TDP1
SCHEMBL8055450 0.83 TDP1 (0.73) GAAALDH1A1MAPK1HSD17B10TDP1
SCHEMBL9629064 0.82 GAA (0.84) GAAALDH1A1MAPK1HSD17B10TDP1
SCHEMBL11358749 0.82 GAA (0.68) GAAALDH1A1MAPK1HSD17B10TDP1
SCHEMBL27579412 0.81 TDP1 (0.71) GAAALDH1A1MAPK1HSD17B10TDP1
SCHEMBL11712702 0.80 ALDH1A1 (0.48) GAAALDH1A1CNR2MAPK1HSD17B10
SCHEMBL65544 0.77 PHLPP2 (0.70) GAAALDH1A1MAPK1TDP1SCN1A
SCHEMBL14924442 0.76 GAA (0.74) GAAALDH1A1MAPK1TDP1SCN1A
SCHEMBL26190076 0.76 TDP1 (0.73) ALDH1A1CNR2TDP1KDM4ESMN1; SMN2

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-1603921-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP disclosed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 WO disclosed