SCHEMBL9019219

SCHEMBL9019219

COC(=O)CCCCCC(c1ccccc1)c1c(C)c(O)c(C)c(C)c1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.61
PPARG P37231 2/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.40
PPARA Q07869 1/20 0.40
TBXAS1 P24557 1/20 0.40
PTPRC P08575 2/20 0.38
PTPN13 Q12923 1/20 0.38
LTB4R Q15722 1/20 0.37

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
SCHEMBL9019142 0.88 TBXA2R (0.48) TBXA2RPPARGCA12CA7CA9
SCHEMBL22172496 0.87 TBXA2R (0.50) TBXA2RPPARGCA12CA7CA9
SCHEMBL9066261 0.87 TBXA2R (0.79) TBXA2RTBXAS1
SCHEMBL28556129 0.82 LMNA (0.51) PPARGCA12CA7CA9CA14
SCHEMBL9019139 0.82 TBXA2R (0.48) TBXA2RPPARGCA12CA7CA9
SCHEMBL9307992 0.81 TBXA2R (0.46) TBXA2RPPARGCA12CA7CA9
SCHEMBL9699697 0.81 TBXA2R (0.63) TBXA2RPPARGCA12CA7CA9
SCHEMBL16179029 0.78 TBXA2R (0.61) TBXA2RTBXAS1
SCHEMBL11098395 0.77 PPARG (0.50) PPARGCA12CA7CA9CA14
SCHEMBL11121883 0.77 PPARG (0.50) PPARGCA12CA7CA9CA14

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