SCHEMBL9309249

SCHEMBL9309249

COC(=O)CCCCCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.37
PTPRC P08575 2/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTPN13 Q12923 1/20 0.37
PPARG P37231 2/20 0.37
TBXA2R P21731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TBXAS1 P24557 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL9019233 0.91 PTPRC (0.43) PTGER2PTPRCPTPN13PPARGTBXA2R
SCHEMBL9310852 0.91 PTPRC (0.43) PTGER2PTPRCPTPN13PPARGTBXA2R
SCHEMBL2490724 0.87 TBXA2R (0.46) PTGER2SLC6A3TBXA2RTBXAS1
SCHEMBL7828928 0.85 HDAC1 (0.49) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL10865978 0.81 KDM4E (0.43) PPARG
SCHEMBL9310543 0.81 HTT (0.42) L3MBTL1LMNATBXAS1ADRB3
SCHEMBL2453660 0.81 PDE4B (0.44) PPARGTBXA2RPPARACNR1CNR2
SCHEMBL9558902 0.79 HDAC1 (0.51) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL2460183 0.79 PDE4B (0.45) PPARGTBXA2RPPARACNR1CNR2
SCHEMBL9308117 0.78 TBXAS1 (0.52) TBXA2RHDAC8HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US 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