SCHEMBL5885769

SCHEMBL5885769

CCOC(=O)c1cc(-c2cc(C)ccc2C)c(C(=O)OCC)cc1-c1cc(C)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL5885526 0.91 CYP4F2 (0.48) TSHRCA12CA1CA2CA7
SCHEMBL6857031 0.90 KMT2A (0.46) TSHRCA12CA1CA2CA7
SCHEMBL7137794 0.86 CA12 (0.49) TSHRCA12CA1CA2CA7
SCHEMBL4834369 0.82 MEN1 (0.60) TSHRCA12CA1CA2CA7
SCHEMBL1589901 0.81 TSHR (0.61) TSHRCA12CA1CA2CA7
SCHEMBL5885764 0.80 TDP1 (0.39) HSD17B10RAB9AL3MBTL1TDP1LMNA
SCHEMBL29668381 0.79 MEN1 (0.60) TSHRCA12CA1CA2CA7
SCHEMBL1107151 0.79 MEN1 (0.60) TSHRCA12CA1CA2CA7
SCHEMBL301748 0.77 TSHR (0.64) TSHRCA12CA1CA2CA7
SCHEMBL2453336 0.76 TSHR (0.53) TSHRCA12CA1CA2CA7

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