SCHEMBL7104145

SCHEMBL7104145

COc1cccc(CCOc2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
FFAR1 O14842 1/20 0.50
MAOB P27338 1/20 0.50
APP P05067 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49
HTT P42858 1/20 0.49
SLC6A3 Q01959 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
SCHEMBL7104144 0.87 NPC1 (0.53) TSHRFFAR1MAOBKMT2AMEN1
SCHEMBL8067260 0.85 MAOB (0.58) FFAR1MAOB
SCHEMBL3297208 0.81 FFAR1 (0.61) TSHRMRGPRX4FFAR1MAOBAPP
SCHEMBL29378251 0.81 PPARD (0.56) TSHRMAOBAPPKMT2AMEN1
SCHEMBL51025 0.81 PPARD (0.56) TSHRMAOBAPPKMT2AMEN1
SCHEMBL13812749 0.81 MET (0.60) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL9305947 0.80 CA12 (0.51) TSHRFFAR1MAOBALDH1A1
SCHEMBL26936 0.80 PPARD (0.55) TSHRMAOBAPPKMT2AMEN1
SCHEMBL10594049 0.80 NPC1 (0.54) TSHRMAOBAPPKMT2AMEN1
SCHEMBL9305932 0.80 PPARD (0.58) MRGPRX4MAOBKMT2AMEN1ALDH1A1

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
EP-0949087-B1 Heat-fixable thermosensitive recording material OJI PAPER CO (JP) 2003-09-17 EP claimed