SCHEMBL7954286

SCHEMBL7954286

CC1(C)OB(c2ccc(OCc3ccc(N)nc3)cc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
LPL P06858 7/20 0.46
LIPG Q9Y5X9 7/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
F11 P03951 1/20 0.44
SNCA P37840 1/20 0.40
HIF1A Q16665 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP2 O95551 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL30240794 0.84 DGAT1 (0.54) DGAT1LPLLIPGCA1CA2
SCHEMBL24932981 0.84 DGAT1 (0.54) DGAT1LPLLIPGCA1CA2
SCHEMBL3259842 0.84 DGAT1 (0.54) DGAT1LPLLIPGCA1CA2
SCHEMBL30240864 0.84 DGAT1 (0.54) DGAT1LPLLIPGCA1CA2
SCHEMBL2021079 0.83 DGAT1 (0.53) DGAT1LPLLIPGCA1CA2
SCHEMBL2185526 0.82 DGAT1 (0.52) DGAT1LPLLIPGCA1CA2
SCHEMBL17129299 0.82 DGAT1 (0.52) DGAT1LPLLIPGCA1CA2
SCHEMBL17129006 0.80 DGAT1 (0.53) DGAT1LPLLIPGCA1CA2
SCHEMBL17129297 0.80 DGAT1 (0.55) DGAT1LPLLIPGCA1CA2
SCHEMBL19000571 0.80 DGAT1 (0.57) DGAT1LPLLIPGCA1CA2

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
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010191-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed