SCHEMBL9309892

SCHEMBL9309892

CCOC(=O)CCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MMP8 P22894 1/20 0.40
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL7812983 0.84 CDC25B (0.43) CYP3A4CYP2D6CYP2C19KDM4EHPGD
SCHEMBL28633131 0.84 SMN1; SMN2 (0.51) PTPN1CYP4F2CYP4A11CYP3A4CYP2D6
SCHEMBL16178950 0.81 PTGS2 (0.40)
SCHEMBL9308585 0.81 TBXAS1 (0.50) SMN1; SMN2
SCHEMBL9310852 0.81 PTPRC (0.43)
SCHEMBL9019233 0.81 PTPRC (0.43)
SCHEMBL16178895 0.80 PTGS2 (0.40)
Seratrodast SCHEMBL98403 0.80 TBXAS1 (0.52)
Seratrodast SCHEMBL98402 0.80 TBXAS1 (0.52)
SCHEMBL9308117 0.80 TBXAS1 (0.52)

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