SCHEMBL6285588

SCHEMBL6285588

NC(c1ccccc1)C(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
KIF11 P52732 4/20 0.41
SRC P12931 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL31356979 0.79 CYP1A2 (0.45) CYP1A2CYP2D6SRCLMNAMAPK1
Ammonia Solution, Strong SCHEMBL28512766 0.78 CYP1A2 (0.43) CYP1A2CYP2D6SRCLMNAMAPK1
SCHEMBL1667166 0.78 CYP1A2 (0.55) CYP1A2CYP2D6KIF11MAPTKMT2A
SCHEMBL19643948 0.76 CYP2D6 (0.48) CYP1A2CYP2D6SRCMAPTKMT2A
SCHEMBL29279084 0.76 CYP2D6 (0.45) CYP1A2CYP2D6KIF11SRCLMNA
SCHEMBL1082423 0.75 CYP2D6 (0.43) CYP1A2CYP2D6SRCDPP4F2
SCHEMBL3979409 0.75 KCNA5 (0.43) KCNA5CYP2D6SRCDPP4F2
SCHEMBL7836925 0.75 AOC3 (0.46) CYP1A2CYP2D6SRCDPP4F2
Hydrogen Sulfide SCHEMBL27860889 0.74 CYP2D6 (0.43) CYP1A2CYP2D6KIF11SRCLMNA
SCHEMBL8572896 0.73 CYP2C19 (0.43) CYP1A2CYP2D6SRCMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005516365-A 2005-06-02 JP claimed
EP-1470563-A2 PHOTOVOLTAIC CELL COMPONENTS AND MATERIALS Konarka Technologies, Inc. (US) 2004-10-27 EP claimed
WO-2003065394-A2 PHOTOVOLTAIC CELL COMPONENTS AND MATERIALS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO claimed
EP-1470597-A2 PHOTOVOLTAIC FIBERS Konarka Technologies, Inc. (US) 2004-10-27 EP disclosed
EP-1470563-A2 PHOTOVOLTAIC CELL COMPONENTS AND MATERIALS Konarka Technologies, Inc. (US) 2004-10-27 EP disclosed
WO-2003065393-A2 DISPLAYS WITH INTEGRATED PHOTOVOLTAIC CELLS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO disclosed
WO-2003065471-A2 PHOTOVOLTAIC FIBERS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO disclosed
WO-2003065394-A2 PHOTOVOLTAIC CELL COMPONENTS AND MATERIALS KONARKA TECHNOLOGIES, INC. (US) 2003-08-07 WO disclosed