SCHEMBL8743202

SCHEMBL8743202

CC(=O)c1c(C)c(C)c(O)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.80
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 3/20 0.36
LMNA P02545 1/20 0.34
FOLH1 Q04609 2/20 0.34
CACNA1B Q00975 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL8743215 1.00 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8742878 0.86 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL8742870 0.86 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL9699510 0.85 TBXA2R (0.82) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8743288 0.84 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8743284 0.84 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL9700590 0.84 TBXA2R (0.76) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8742842 0.83 TBXA2R (0.75) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8742932 0.83 TBXA2R (1.00) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8742836 0.83 TBXA2R (0.75) TBXA2RTBXAS1SLC6A3KCNH2LMNA

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-5354913-A Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US claimed
EP-0751113-A1 Optically active phenol derivatives and preparation thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed
US-5420363-A Catalytic reaction of phenol with secondary carbinol for enantiomorphs TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
US-5354913-A Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
EP-0582382-A2 Optically active phenol derivatives and preparation thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-02-09 EP disclosed