SCHEMBL17902001

SCHEMBL17902001

Cc1cc2c3ccccc3c3ccccc3c2cc1-c1c(C)cccc1-c1ccc2sc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
GPR3 P46089 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC9A1 P19634 3/20 0.35
PLAU P00749 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33

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
SCHEMBL19480067 0.87 ALOX5 (0.36) ALOX5GPR3ALDH1A1PIM1PIM2
SCHEMBL21742799 0.85 ALOX5 (0.43) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL20062772 0.82 ALOX5 (0.44) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL20062844 0.82 ALOX5 (0.44) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL16802063 0.81 GPR3 (0.48) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL20062755 0.81 ALOX5 (0.43) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL20062759 0.81 ALOX5 (0.43) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL20062757 0.81 ALOX5 (0.43) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL20062829 0.81 ALOX5 (0.43) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL27388000 0.80 ALOX5 (0.46) ALOX5GPR3ALDH1A1MAPTHPGD

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
EP-3040395-B1 ORGANIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LUMINESCENCE TECH CORP (TW) 2017-10-18 EP disclosed
EP-3040395-A1 ORGANIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Luminescence Technology Corp. (TW) 2016-07-06 EP disclosed