SCHEMBL7586899

SCHEMBL7586899

CC(C)CCCC(C)CCOc1cccc(-c2cc(C(=O)O)c(-c3cccc(OCCC(C)CCCC(C)C)c3)cc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.47
DHODH Q02127 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.43
MAPK1 P28482 1/20 0.42
FDPS P14324 2/20 0.42
GGPS1 O95749 1/20 0.41
GALR3 O60755 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7111401 0.90 RARB (0.50) PTPN11DHODHNR1H4RARBMAPK1
SCHEMBL5885728 0.87 L3MBTL1 (0.46) PTPN11DHODHALOX5MAPK1FDPS
SCHEMBL13502288 0.84 FDPS (0.45) NR1H4ALOX5RARBFDPSGGPS1
SCHEMBL27483201 0.82 LTA4H (0.46) ALOX5RARBFDPSGGPS1
SCHEMBL6858906 0.82 NR1H4 (0.39) NR1H4ALOX5RARBMAPK1FDPS
SCHEMBL6860538 0.82 PTGS2 (0.42) DHODHALOX5MAPK1FDPSGGPS1
SCHEMBL5885814 0.81 FDPS (0.41) DHODHNR1H4ALOX5RARBFDPS
SCHEMBL6858903 0.81 L3MBTL1 (0.43) ALOX5MAPK1FDPSGGPS1HPGD
SCHEMBL5885805 0.79 FDPS (0.39) NR1H4ALOX5RARBFDPSGGPS1
SCHEMBL15301966 0.78 MAPK1 (0.52) NR1H4ALOX5RARBMAPK1FDPS

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-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