SCHEMBL3389080

SCHEMBL3389080

COc1cccc(COO)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.67
AGXT P21549 2/20 0.67
MAOB P27338 6/20 0.57
TAAR1 Q96RJ0 3/20 0.56
MMP1 P03956 2/20 0.54
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
MMP12 P39900 2/20 0.54
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
CMA1 P23946 1/20 0.51

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
SCHEMBL3768643 0.83 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL31264 0.83 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL6205292 0.81 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL27886344 0.80 IDO1 (0.67) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL1144902 0.80 IDO1 (0.67) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL1520782 0.80 IDO1 (1.00) IDO1AGXTMAOBTAAR1
SCHEMBL28556983 0.79 MMP1 (0.61) IDO1AGXTMAOBTAAR1MMP1
SCHEMBL6680175 0.79 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL31326237 0.79 MMP1 (0.61) IDO1AGXTMAOBTAAR1MMP1
SCHEMBL29587500 0.79 TAAR1 (0.60) IDO1AGXTMAOBTAAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148345-A1 METHOD FOR REFINING LIPID PHASES, AND USE Drei Lilien Pvg GmbH&Co. KG (DE) 2017-04-05 EP disclosed
WO-2015181341-A1 METHOD FOR REFINING LIPID PHASES, AND USE DREI LILIEN PVG GMBH & CO. KG (DE) 2015-12-03 WO disclosed
EP-2171048-A1 COMPOSITIONS COMPRISING PERHYDROLASES AND ALKYLENE GLYCOL DIACETATES Henkel AG & Co. KGaA (DE) 2010-04-07 EP disclosed
WO-2009015951-A1 COMPOSITIONS COMPRISING PERHYDROLASES AND ALKYLENE GLYCOL DIACETATES HENKEL AG & CO. KGAA (DE) 2009-02-05 WO disclosed
WO-2007147815-A1 DENTAL TREATMENT COMPOSITION WITH INCREASED BLEACHING EFFECT HENKEL AG & CO. KGAA (DE) 2007-12-27 WO disclosed
CN-1241535-C Cosmetic compositions UNILEVER NV (NL) 2006-02-15 CN disclosed
EP-1517880-A2 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING Symrise GmbH & Co. KG (DE) 2005-03-30 EP disclosed
CN-1543335-A Cosmetic compositions 2004-11-03 CN disclosed
WO-2004000787-A2 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE GMBH & CO. KG (DE) 2003-12-31 WO disclosed