SCHEMBL5885728

SCHEMBL5885728

CCOC(=O)c1cc(-c2cccc(OCCC(C)CCCC(C)C)c2)c(C(=O)OCC)cc1-c1cccc(OCCC(C)CCCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
FDPS P14324 2/20 0.39
GGPS1 O95749 1/20 0.39
PTGS2 P35354 1/20 0.39
EGFR P00533 2/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 0.38
PPARG P37231 1/20 0.38
PTPN11 Q06124 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
SCHEMBL6860538 0.94 PTGS2 (0.42) L3MBTL1TDP1MAPK1TSHRALDH1A1
SCHEMBL6858903 0.93 L3MBTL1 (0.43) L3MBTL1TDP1MAPK1TSHRALDH1A1
SCHEMBL5885726 0.88 RARB (0.45) L3MBTL1TDP1MAPK1ALOX5FDPS
SCHEMBL7586899 0.87 PTPN11 (0.47) MAPK1ALOX5FDPSGGPS1PTGS2
SCHEMBL6857231 0.82 FFAR1 (0.41) TDP1MAPK1ALOX5FDPSEGFR
SCHEMBL6858932 0.82 GAA (0.42) L3MBTL1TDP1MAPK1TSHRALDH1A1
SCHEMBL6858906 0.81 NR1H4 (0.39) MAPK1ALDH1A1ALOX5KDM4EFDPS
SCHEMBL7111401 0.80 RARB (0.50) MAPK1DHODHPTPN11
SCHEMBL13502288 0.80 FDPS (0.45) TDP1ALOX5FDPSGGPS1
SCHEMBL7137206 0.78 RARB (0.48) L3MBTL1TDP1MAPK1TSHRALOX5

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-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