SCHEMBL5015100

SCHEMBL5015100

Cc1cc(CC(C)C)c(C(C)C)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP7 P55210 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
TERT O14746 1/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31

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
SCHEMBL1822989 0.84 ALDH1A1 (0.59) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL30078376 0.84 ALDH1A1 (0.59) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL6572888 0.82 ALDH1A1 (0.61) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL2683313 0.82 CYP1A2 (0.37) ALDH1A1CYP1A2MAPK1GABRA1GABRB2
SCHEMBL5014685 0.81 LMNA (0.38) POLBGAAGFERALOX15GABRA1
SCHEMBL5015066 0.79 ALDH1A1 (0.34) ALDH1A1CYP1A2MAPK1NOS3NOS1
SCHEMBL5022865 0.77 MAPK1 (0.34) POLBALDH1A1CYP1A2ALOX15MAPK1
SCHEMBL25555727 0.77 POLB (0.61) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL15927422 0.77 POLB (0.45) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL5022863 0.76 CYP1A2 (0.33) CYP1A2MAPK1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed