SCHEMBL9168076

SCHEMBL9168076

CCCCCCCCCCCCCCCCCCCc1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.57
LIPG Q9Y5X9 2/20 0.57
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
CYP19A1 P11511 1/20 0.55
TSHR P16473 1/20 0.54
KCNH2 Q12809 1/20 0.50
HTR2A P28223 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 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
SCHEMBL29400447 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL29400049 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL28489702 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL29598219 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL6628922 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL28501541 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL352479 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL3625874 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL16236477 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1
SCHEMBL28493034 1.00 LPL (0.57) LPLLIPGMAOAMAOBCYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP disclosed