SCHEMBL17149159

SCHEMBL17149159

Cc1cc(C(C)C)cc(C)c1SC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
FABP3 P05413 1/20 0.30

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
SCHEMBL14707866 0.80 RAPGEF4 (0.36) LMNAALDH1A1GAA
SCHEMBL17149157 0.80 LMNA (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL10052565 0.79 USP2 (0.38) ALDH1A1GAA
SCHEMBL17149190 0.77 MCL1 (0.42) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL17149148 0.76 ALDH1A1 (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL26628408 0.71 LMNA (0.31) LMNA
SCHEMBL17149137 0.71 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL11449736 0.71 LMNA (0.44) LMNATRPA1PTGS1CACNA1CADRA2A
SCHEMBL2669682 0.70 SCN4A (0.45) LMNATRPA1CACNA1CALDH1A1
SCHEMBL22023596 0.70 GAA (0.42) LMNATRPA1PTGS1CACNA1CADRA2A

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-9815997-B2 Organic electroluminescence device and ink composition IDEMITSU KOSAN CO., LTD. (JP) 2017-11-14 US disclosed
US-20150284580-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND INK COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed