SCHEMBL25354539

SCHEMBL25354539

CC(C)c1ccc2ccc(C(C)C)c(C(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
LMNA P02545 2/20 0.36
TRPA1 O75762 2/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
GAA P10253 2/20 0.34
UGT2B7 P16662 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
EIF4A3 P38919 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HTR1D P28221 1/20 0.33
NPC1 O15118 1/20 0.33
SCN4A P35499 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RNASEH1 O60930 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL10724286 0.84 UGT2B7 (0.49) KIF11UGT2B7HIF1A
Hydrogen Peroxide SCHEMBL9862258 0.78 UGT2B7 (0.46) KIF11GAAUGT2B7ALDH1A1HIF1A
SCHEMBL79573 0.76 UGT2B7 (0.42) KIF11LMNATRPA1PTGS1CACNA1C
SCHEMBL79572 0.75 NCEH1 (0.46) UGT2B7ALDH1A1HIF1AGABRA1GABRB2
Naphthalene SCHEMBL11043776 0.75 NCEH1 (0.46) UGT2B7ALDH1A1HIF1AGABRA1GABRB2
SCHEMBL29781079 0.73 NCEH1 (0.45) UGT2B7ALDH1A1HIF1AGABRA1GABRB2
SCHEMBL2020430 0.73 NCEH1 (0.45) UGT2B7ALDH1A1HIF1AGABRA1GABRB2
Hydrogen Sulfide SCHEMBL28087187 0.73 NCEH1 (0.45) UGT2B7ALDH1A1HIF1AGABRA1GABRB2
SCHEMBL9614446 0.73 NCEH1 (0.45) UGT2B7ALDH1A1HIF1AGABRA1GABRB2
SCHEMBL10557357 0.73 NCEH1 (0.45) UGT2B7ALDH1A1HIF1AGABRA1GABRB2

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-20240407250-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR MITSUBISHI CHEMICAL CORPORATION (JP) 2024-12-05 US disclosed
WO-2023153161-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICEELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-08-17 WO disclosed