SCHEMBL9019074

SCHEMBL9019074

COC(=O)CCCCCC(c1ccccc1)c1c(C)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(C)c(C)c1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.36
PPARG P37231 2/20 0.33
LTB4R Q15722 1/20 0.33
TBXAS1 P24557 3/20 0.32
PPARA Q07869 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN13 Q12923 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 1/20 0.31
HDAC2 Q92769 1/20 0.30

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
SCHEMBL9019139 0.89 TBXA2R (0.48) TBXA2RPPARGLTB4RTBXAS1PPARA
SCHEMBL9019142 0.82 TBXA2R (0.48) TBXA2RPPARGTBXAS1PPARAPTPRC
SCHEMBL9307992 0.77 TBXA2R (0.46) TBXA2RPPARGLTB4RTBXAS1PPARA
SCHEMBL15027682 0.74 PPARG (0.42) PPARGLTB4RTBXAS1PPARAPTPRC
SCHEMBL22172496 0.73 TBXA2R (0.50) TBXA2RPPARGLTB4RTBXAS1PPARA
SCHEMBL9019219 0.70 TBXA2R (0.61) TBXA2RPPARGLTB4RTBXAS1PPARA
SCHEMBL28556129 0.69 LMNA (0.51) PPARGTBXAS1PPARAPTPRCPTPN13
SCHEMBL3579061 0.69 L3MBTL1 (0.44) PPARGLTB4RTBXAS1PPARAPTPRC
SCHEMBL3580528 0.69 L3MBTL1 (0.44) PPARGLTB4RTBXAS1PPARAPTPRC
SCHEMBL3579064 0.69 L3MBTL1 (0.44) PPARGLTB4RTBXAS1PPARAPTPRC

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-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
US-5534639-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US disclosed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed