SCHEMBL7111401

SCHEMBL7111401

CC(C)CCCC(C)CCOc1cccc(-c2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.50
PTPN11 Q06124 2/20 0.48
NR1H4 Q96RI1 3/20 0.47
MAPK1 P28482 1/20 0.46
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
KMT2A Q03164 1/20 0.43
DHODH Q02127 1/20 0.41

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
SCHEMBL7586899 0.90 PTPN11 (0.47) RARBPTPN11NR1H4MAPK1DHODH
SCHEMBL6858906 0.86 NR1H4 (0.39) RARBNR1H4MAPK1
SCHEMBL5885728 0.80 L3MBTL1 (0.46) PTPN11MAPK1DHODH
SCHEMBL13502288 0.79 FDPS (0.45) RARBNR1H4
SCHEMBL7278712 0.79 RARB (0.60) RARBNR1H4MAPK1
SCHEMBL15301966 0.79 MAPK1 (0.52) RARBNR1H4MAPK1
SCHEMBL27483201 0.78 LTA4H (0.46) RARB
SCHEMBL15449670 0.77 MAPK1 (0.77) RARBNR1H4MAPK1
SCHEMBL10785289 0.77 MAPK1 (0.77) RARBNR1H4MAPK1
SCHEMBL28520501 0.77 MAPK1 (0.77) RARBNR1H4MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 US disclosed
US-6458909-B1 SOLID-STATE LIGHT SOURCES FOR A SERIES OF APPLICATIONS, PREDOMINANTLY IN THE FIELD OF DISPLAY ELEMENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-10-01 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
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed