SCHEMBL17149157

SCHEMBL17149157

Cc1cc(-c2ccc(C(C)C)cc2)cc(C)c1SC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PTGS1 P23219 2/20 0.37
TRPA1 O75762 1/20 0.37
CACNA1C Q13936 1/20 0.37
PTPN5 P54829 2/20 0.37
KIF11 P52732 1/20 0.35
PTGS2 P35354 1/20 0.35
ERN1 O75460 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NOTUM Q6P988 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 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
SCHEMBL17149159 0.80 LMNA (0.37) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL17149190 0.79 MCL1 (0.42) LMNAPTGS1TRPA1CACNA1CPTGS2
SCHEMBL17149163 0.77 MEN1 (0.41) LMNAPTGS1PTGS2
SCHEMBL17149148 0.77 ALDH1A1 (0.38) LMNAPTGS1TRPA1CACNA1CPTGS2
SCHEMBL17149151 0.75 AAK1 (0.33)
SCHEMBL14309168 0.74 PTPN5 (0.42) LMNAPTGS1PTPN5KIF11NPC1
SCHEMBL197335 0.72 KIF11 (0.52) LMNAPTPN5KIF11PTGS2NPC1
SCHEMBL12418424 0.71 AHR (0.46) LMNAPTGS1TRPA1CACNA1CPTPN5
SCHEMBL14707866 0.71 RAPGEF4 (0.36) LMNAALDH1A1GAAKDM4E
SCHEMBL17149143 0.70 LMNA (0.38) LMNAPTGS1TRPA1CACNA1CPTPN5

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