SCHEMBL5885634

SCHEMBL5885634

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.41
XDH P47989 5/20 0.40
SLC22A12 Q96S37 1/20 0.40
PRKCZ Q05513 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5885877 0.90 HTT (0.39) DHODHHTTALDH1A1GAATSHR
SCHEMBL7131958 0.89 HTT (0.51) DHODHHTTALDH1A1XDHSLC22A12
SCHEMBL28820189 0.78 ABCB1 (0.49) HTTALDH1A1GAATSHRHIF1A
SCHEMBL7980488 0.75 HTT (0.60) HTTALDH1A1GAAPRKCZMEN1
SCHEMBL14974443 0.75 CA12 (0.45) ALDH1A1GAATSHRCA12CA1
SCHEMBL4734254 0.75 ALDH1A1 (0.57) HTTALDH1A1TSHRHIF1ALMNA
SCHEMBL28020536 0.75 TSHR (0.61) HTTALDH1A1TSHRMEN1MAPT
SCHEMBL14974753 0.74 CA12 (0.44) ALDH1A1GAATSHRCA12CA1
SCHEMBL4003834 0.73 ALDH1A1 (0.46) ALDH1A1GAATSHRCA12CA1
SCHEMBL6859299 0.72 ALDH1A1 (0.41) HTTALDH1A1GAATSHRPRKCZ

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