SCHEMBL28021964

SCHEMBL28021964

CC(C)c1[c]ccc(C(C)C)c1.[AlH3]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
TYR P14679 2/20 0.31
RNASEH1 O60930 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM4 O15151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL677008 0.98 LMNA (0.37) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL10406453 0.78 SLC6A2 (0.36) LMNATRPA1HIF1AKDM4EHDAC8
SCHEMBL15067062 0.76 LMNA (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL11442367 0.75 ESR1 (0.34)
SCHEMBL2444018 0.74 LMNA (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL1776424 0.74 TRPA1 (0.35) LMNATRPA1TDP1
SCHEMBL16736879 0.73 PTGS1 (0.43) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL1031444 0.73 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL10612043 0.73 ESR1 (0.31) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL207770 0.73 LMNA (0.33) LMNAHTTTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854150-B Activator compositions, their preparation, and their use in catalysts 阿尔比马尔公司 2017-05-24 CN disclosed
CN-103380154-B Activator composition, its preparation and the purposes in catalysis thereof 阿尔比马尔公司 2016-08-24 CN disclosed
CN-104854150-A Activator compositions, their preparation, and their use in catalysts ALBEMARLE CORP 2015-08-19 CN disclosed