SCHEMBL8742936

SCHEMBL8742936

Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 1.00
TBXAS1 P24557 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
FOLH1 Q04609 2/20 0.33
AR P10275 1/20 0.33
CACNA1B Q00975 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
SCHEMBL8742932 1.00 TBXA2R (1.00) TBXA2RTBXAS1LMNASLC6A3KCNH2
SCHEMBL9507194 0.89 TBXA2R (0.79) TBXA2RLMNASLC6A3KCNH2
SCHEMBL9509249 0.88 TBXA2R (0.79) TBXA2RTBXAS1LMNASLC6A3KCNH2
SCHEMBL9509263 0.88 TBXA2R (0.79) TBXA2RTBXAS1LMNASLC6A3KCNH2
SCHEMBL9700848 0.88 TBXA2R (0.79) TBXA2RTBXAS1LMNASLC6A3KCNH2
SCHEMBL9700583 0.87 TBXA2R (0.77) TBXA2RTBXAS1LMNASLC6A3KCNH2
SCHEMBL9700581 0.87 TBXA2R (0.77) TBXA2RTBXAS1LMNASLC6A3KCNH2
SCHEMBL8742865 0.86 TBXA2R (0.76) TBXA2RKCNH2
SCHEMBL8742908 0.86 TBXA2R (0.76) TBXA2RKCNH2
SCHEMBL9699510 0.84 TBXA2R (0.82) TBXA2RTBXAS1LMNASLC6A3KCNH2

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 11 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
EP-0537954-B1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-24 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
EP-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 EP disclosed
US-5235091-A Reacting a phenol compound with a stilbene compound in presence of methanesulfonic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-10 US disclosed
EP-0537954-A1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-21 EP disclosed
US-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0295037-A2 Phenol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-12-14 EP disclosed