SCHEMBL5014668

SCHEMBL5014668

COc1cc(C)c(CN)cc1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
GAA P10253 1/20 0.59
GFER P55789 1/20 0.59
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.37

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
SCHEMBL20969580 0.86 TAAR1 (0.57) POLBGAAGFERTAAR1HTR2A
SCHEMBL12425507 0.84 POLB (0.56) POLBGAAGFERTAAR1MEN1
SCHEMBL14036774 0.79 GAA (0.51) POLBGAAGFERMEN1ALDH1A1
SCHEMBL6852792 0.78 POLB (0.68) POLBGAAGFERMEN1ALDH1A1
SCHEMBL11079472 0.78 POLB (0.50) POLBGAAGFERTAAR1MEN1
SCHEMBL194998 0.77 POLB (0.49) POLBGAAGFERMEN1ALDH1A1
SCHEMBL14295929 0.77 POLB (0.66) POLBGAAGFERMEN1ALDH1A1
Thymoquinol Dimethylether SCHEMBL12613923 0.77 POLB (0.66) POLBGAAGFERTAAR1MEN1
SCHEMBL7904417 0.76 POLB (0.47) POLBGAAGFERMEN1ALDH1A1
SCHEMBL3709507 0.76 POLB (0.48) POLBGAAGFERMEN1ALDH1A1

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