SCHEMBL9019233

SCHEMBL9019233

COC(=O)CCCCCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.43
PTPN13 Q12923 1/20 0.43
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
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TBXAS1 P24557 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGER2 P43116 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL9310852 1.00 PTPRC (0.43) PTPRCPTPN13PPARGCA12CA7
SCHEMBL9309249 0.91 PTGER2 (0.37) PTPRCPTPN13PPARGLMNAPPARA
Seratrodast SCHEMBL98402 0.87 TBXAS1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
Seratrodast SCHEMBL98403 0.87 TBXAS1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9308117 0.87 TBXAS1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9801963 0.86 HDAC3 (0.37) PTPRCPTPN13HDAC3HDAC1HDAC2
SCHEMBL2459057 0.86 TBXAS1 (0.42) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL9308585 0.85 TBXAS1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7833657 0.85 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9309807 0.84 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6

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 9 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
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed