SCHEMBL6852154

SCHEMBL6852154

CCOC(=O)c1cc(-c2ccc(CC(C)C)c(CC(C)C)c2)c(C(=O)OCC)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 3/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 2/20 0.37
TSHR P16473 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
PRKCZ Q05513 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SCN9A Q15858 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6859299 0.85 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1POLBALDH1A1MAPK1
SCHEMBL8205355 0.81 SGK1 (0.41) ALDH1A1MEN1KMT2AKDM4ESCN9A
SCHEMBL31623399 0.73 PRKCZ (0.56) SMN1; SMN2L3MBTL1ALDH1A1NPC1MEN1
SCHEMBL364335 0.71 TSHR (0.53) L3MBTL1POLBALDH1A1MAPK1NPC1
SCHEMBL5885634 0.70 DHODH (0.46) SMN1; SMN2ALDH1A1NPC1MEN1KMT2A
SCHEMBL366265 0.69 CYP4F2 (0.47) L3MBTL1POLBALDH1A1MAPK1NPC1
SCHEMBL6859341 0.69 GCGR (0.34) MAPK1
SCHEMBL25260946 0.69 TSHR (0.47) SMN1; SMN2L3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL4628067 0.69 ALDH1A1 (0.45) SMN1; SMN2POLBALDH1A1MAPK1MEN1
SCHEMBL366463 0.68 TSHR (0.50) SMN1; SMN2L3MBTL1POLBALDH1A1MAPK1

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
EP-1029019-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS COVION ORGANIC SEMICONDUCTORS (DE) 2004-03-03 EP disclosed
US-6638646-B2 Polymerizing one or more monomers containing dihalogen containing substituted biaryls, via a base-induced dehydrohalogenation SEMICONDUCTORS GMBH (DE) 2003-10-28 US disclosed
US-20030088050-A1 Substituted poly(arylenevinylenes), process for their preparation, and their use in electroluminescent elements MERCK PATENT GMBH (DE) 2003-05-08 US disclosed
US-20020064680-A1 Substituted poly(arylene vinylenes), method for producing the same, and their use in electroluminescent elements AXIVA GMBH (DE) 2002-05-30 US disclosed