SCHEMBL8742908

SCHEMBL8742908

COc1c(C)c(C)c(C=O)c(C)c1C(CCCCCC(=O)O)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.76
KCNH2 Q12809 12/20 0.40
IMPDH2 P12268 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
SCHEMBL8742865 1.00 TBXA2R (0.76) TBXA2RKCNH2IMPDH2
SCHEMBL9506882 0.92 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9410733 0.92 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL8742936 0.86 TBXA2R (1.00) TBXA2RKCNH2
SCHEMBL8742932 0.86 TBXA2R (1.00) TBXA2RKCNH2
SCHEMBL8742994 0.84 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL8742870 0.84 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL8742986 0.84 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL8742878 0.84 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL8742981 0.84 TBXA2R (0.59) TBXA2RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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