SCHEMBL3709735

SCHEMBL3709735

COc1cc(C)c(CC(=O)N(C)N)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 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
SCHEMBL194998 0.81 POLB (0.49) POLBGAAGFERMAPTHPGD
SCHEMBL7904417 0.80 POLB (0.47) POLBGAAGFERMAPTHPGD
SCHEMBL3709507 0.80 POLB (0.48) POLBGAAGFERMAPTHPGD
SCHEMBL12425507 0.76 POLB (0.56) POLBGAAGFERMAPTHPGD
SCHEMBL5014668 0.75 POLB (0.59) POLBGAAGFERMAPTHPGD
SCHEMBL3714416 0.74 CA1 (0.43) SMN1; SMN2MEN1KMT2ALPAR1LMNA
SCHEMBL20969580 0.72 TAAR1 (0.57) POLBGAAGFERCYP1A2HTR2C
SCHEMBL7193138 0.70 POLB (0.44) POLBGAAGFERMAPTHPGD
SCHEMBL14036774 0.69 GAA (0.51) POLBGAAGFERMAPTHPGD
SCHEMBL26551435 0.69 POLB (0.56) POLBGAAGFERMAPTHPGD

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
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed