SCHEMBL360717

SCHEMBL360717

CC1(C)OB(c2ccc3cc4ccccc4cc3n2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.49
▸ LIPG Q9Y5X9 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ SNCA P37840 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ELANE P08246 2/20 0.31
▸ TERT O14746 1/20 0.31
▸ APP P05067 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL14884184 0.87 ALDH1A1 (0.41) LPLLIPGALDH1A1MAPTALPL
SCHEMBL14884188 0.87 ALDH1A1 (0.41) LPLLIPGALDH1A1MAPTALPL
SCHEMBL2268694 0.85 LPL (0.45) LPLLIPGALDH1A1GLAMAPT
SCHEMBL29781408 0.85 LPL (0.45) LPLLIPGALDH1A1GLAMAPT
SCHEMBL14884187 0.82 ALDH1A1 (0.39) LPLLIPGALDH1A1MAPTALPL
SCHEMBL14884185 0.82 ALDH1A1 (0.39) LPLLIPGALDH1A1MAPTALPL
SCHEMBL29254215 0.79 LIPG (0.55) LPLLIPGSNCA
SCHEMBL21215940 0.78 LPL (0.50) LPLLIPGALDH1A1GLAMAPT
SCHEMBL21215960 0.77 LPL (0.52) LPLLIPGALDH1A1MAPTALPL
SCHEMBL21215967 0.77 LPL (0.52) LPLLIPGALDH1A1MAPTALPL

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-2012007086-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-01-19 — — WO disclosed
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