SCHEMBL9255531

SCHEMBL9255531

COc1nc(OC)nc(-c2cc3cccc4ccc5cccc2c5c43)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
MAOA P21397 2/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
PPARG P37231 2/20 0.40
RXRA P19793 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL30487870 0.87 ALDH1A1 (0.43) CYP1A2MAOAERBB2FYNACHE
SCHEMBL3227096 0.87 ALDH1A1 (0.43) CYP1A2MAOAERBB2FYNACHE
SCHEMBL11577638 0.80 TSHR (0.42) CYP1A2MAOAERBB2FYNACHE
SCHEMBL11288728 0.79 PDE4B (0.36) CYP1A2MAOAERBB2FYNACHE
SCHEMBL24431781 0.76 PPARG (0.40) CYP1A2PPARGRXRAPPARDPPARA
SCHEMBL24431821 0.76 NPC1 (0.50) CYP1A2PPARGRXRAPPARDPPARA
SCHEMBL27865920 0.75 CYP1A2 (0.48) CYP1A2MAOAERBB2FYNACHE
SCHEMBL24431816 0.75 PPARG (0.41) CYP1A2MAOAERBB2FYNACHE
SCHEMBL24431684 0.75 MAPK1 (0.42) PPARGRXRAPPARDPPARAALDH1A1
SCHEMBL24431556 0.74 PPARG (0.39) CYP1A2MAOAERBB2FYNACHE

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
EP-0646168-A1 BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-04-05 EP disclosed
EP-0646168-A4 BLEACHING COMPOSITIONS. PROCTER & GAMBLE (US) 1994-10-20 EP disclosed
WO-1993007086-A1 BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-04-15 WO disclosed