SCHEMBL18569009

SCHEMBL18569009

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.79
TP53 P04637 3/20 0.79
CYP3A4 P08684 3/20 0.79
LMNA P02545 2/20 0.79
HPGD P15428 1/20 0.79
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
ATP2A2 P16615 1/20 0.50
ATP2A3 Q93084 1/20 0.50
HTR2A P28223 1/20 0.45
GAA P10253 1/20 0.43
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
TYR P14679 2/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C9 P11712 1/20 0.34
MIF P14174 1/20 0.34

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
SCHEMBL39215 0.88 ALOX15 (1.00) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL29381356 0.88 ALOX15 (1.00) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL29433129 0.82 ALOX15 (0.80) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL158789 0.82 ALOX15 (0.80) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL5082769 0.80 ALOX15 (0.84) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL398164 0.79 CYP3A4 (0.74) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL11713308 0.79 ALOX15 (0.79) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL2789595 0.78 ALOX15 (0.80) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL18198041 0.78 ALOX15 (0.79) ALOX15TP53CYP3A4LMNAHPGD
SCHEMBL5669484 0.77 ALOX15 (0.77) ALOX15TP53CYP3A4LMNAHPGD

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-2017032583-A1 USE OF CERTAIN POLYMERS AS A CHARGE STORE EVONIK DEGUSSA GMBH (DE) 2017-03-02 WO disclosed
EP-3135704-A1 USE OF CERTAIN POLYMERS AS CHARGE STORAGE Evonik Degussa GmbH (DE) 2017-03-01 EP disclosed