SCHEMBL10061395

SCHEMBL10061395

CC(=O)OCCCCCCOc1ccc(/C=C/c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.49
HDAC3 O15379 1/20 0.47
STAT3 P40763 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PPARA Q07869 5/20 0.47
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
GAA P10253 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
PTPN1 P18031 1/20 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
SCHEMBL9681637 0.92 PTPN1 (0.46) ALBPPARAPTPN1MAOBABCG2
SCHEMBL9681641 0.92 PTPN1 (0.46) ALBPPARAPTPN1MAOBABCG2
SCHEMBL9317129 0.88 POLB (0.58) ALBHDAC3STAT3HDAC4HDAC1
SCHEMBL20024737 0.87 PPARA (0.58) ALBHDAC3STAT3HDAC4HDAC1
SCHEMBL9318756 0.86 THRB (0.47) ALBHDAC3STAT3HDAC4HDAC1
SCHEMBL2719046 0.83 PTGS2 (0.44) GAAGPR119
SCHEMBL9681054 0.80 PTPN1 (0.47) ALBPPARAPTPN1MAOB
SCHEMBL9681048 0.80 PTPN1 (0.47) ALBPPARAPTPN1MAOB
SCHEMBL20024746 0.80 PPARA (0.51) ALBPPARAPPARGPTPN1
SCHEMBL9317383 0.80 POLB (0.48) ALBPPARAPTPN1MAOBABCG2

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
EP-2218764-B1 Chiral reactive mesogen mixture MERCK PATENT GMBH (DE) 2012-01-18 EP disclosed
US-8021571-B2 Chiral reactive mesogen mixture MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-20 US disclosed
US-8021571-B2 Chiral reactive mesogen mixture MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-20 US disclosed
US-20100208191-A1 CHIRAL REACTIVE MESOGEN MIXTURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
US-20100208191-A1 CHIRAL REACTIVE MESOGEN MIXTURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
EP-2218764-A1 Chiral reactive mesogen mixture Merck Patent GmbH (DE) 2010-08-18 EP disclosed