SCHEMBL5885877

SCHEMBL5885877

CCOC(=O)c1cc(-c2ccc(OCC(C)CC)c(OCC(C)CC)c2)c(C(=O)OCC)cc1-c1ccc(OCC(C)CC)c(OCC(C)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.38
DHODH Q02127 1/20 0.38
PRKCZ Q05513 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5885634 0.90 DHODH (0.46) HTTTSHRMAPTDHODHPRKCZ
SCHEMBL7131958 0.80 HTT (0.51) HTTMAPTDHODHCA12CA1
SCHEMBL5147675 0.78 TLR8 (0.45) MAPTDHODHGAASMN1; SMN2MEN1
SCHEMBL12856555 0.77 MAPT (0.40) TSHRMAPTDHODHLMNASMN1; SMN2
SCHEMBL5885764 0.76 TDP1 (0.39) LMNANPC1RAB9AHSD17B10TDP1
SCHEMBL5885008 0.75 S1PR1 (0.37) MAPTDHODHGAAALDH1A1
SCHEMBL7980488 0.73 HTT (0.60) HTTMAPTPRKCZLMNAGAA
SCHEMBL2764055 0.73 TLR8 (0.38) MAPTDHODHGAASMN1; SMN2NPC1
SCHEMBL5885519 0.72 TLR8 (0.37) MAPTDHODHGAAMEN1ALDH1A1
SCHEMBL13607200 0.70 KDM4E (0.47) MAPTGAAMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed
EP-1232225-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS (DE) 2004-12-01 EP disclosed
EP-1232225-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES Covion Organic Semiconductors GmbH (DE) 2002-08-21 EP disclosed
WO-2001034722-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2001-05-17 WO disclosed