SCHEMBL9309433

SCHEMBL9309433

CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccc(Cl)cc2)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.44
TBXAS1 P24557 10/20 0.42
SLC6A3 Q01959 1/20 0.41
P2RY2 P41231 2/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL2490724 0.90 TBXA2R (0.46) TBXA2RTBXAS1SLC6A3
SCHEMBL9308117 0.88 TBXAS1 (0.52) TBXA2RTBXAS1ALDH1A1
Seratrodast SCHEMBL98402 0.88 TBXAS1 (0.52) TBXA2RTBXAS1ALDH1A1
Seratrodast SCHEMBL98403 0.88 TBXAS1 (0.52) TBXA2RTBXAS1ALDH1A1
SCHEMBL2458688 0.87 TBXA2R (0.59) TBXA2RTBXAS1SLC6A3
SCHEMBL9308585 0.87 TBXAS1 (0.50) TBXA2RTBXAS1SLC6A3
SCHEMBL2453660 0.85 PDE4B (0.44) TBXA2RTBXAS1
SCHEMBL2460183 0.84 PDE4B (0.45) TBXA2RTBXAS1
SCHEMBL7832557 0.79 TBXAS1 (0.51) TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL2459057 0.79 TBXAS1 (0.42) TBXA2RTBXAS1

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