SCHEMBL15044110

SCHEMBL15044110

COc1cc(O)c(C)cc1C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.66
CYP3A4 P08684 3/20 0.66
TP53 P04637 2/20 0.66
HPGD P15428 2/20 0.66
LMNA P02545 1/20 0.66
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
HTR2A P28223 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ATP2A2 P16615 1/20 0.43
ATP2A3 Q93084 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL158789 0.85 ALOX15 (0.80) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL29433129 0.85 ALOX15 (0.80) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL5082769 0.83 ALOX15 (0.84) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL12224029 0.83 LMNA (0.57) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL12401770 0.81 LMNA (0.55) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL19337383 0.81 LMNA (0.61) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL39215 0.79 ALOX15 (1.00) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL29381356 0.79 ALOX15 (1.00) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL11247895 0.78 ALOX15 (0.63) ALOX15CYP3A4TP53HPGDLMNA
SCHEMBL23387410 0.78 ALOX15 (0.62) ALOX15CYP3A4TP53HPGDLMNA

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
US-9394555-B2 Compositions comprising a polypeptide having cellulolytic enhancing activity and a dioxy compound and uses thereof NOVOZYMES, INC. (US) 2016-07-19 US disclosed
US-20130157317-A1 Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Dioxy Compound And Uses Thereof NOVOZYMES, INC. (US) 2013-06-20 US disclosed