SCHEMBL9506882

SCHEMBL9506882

COC(=O)CCCCCC(c1ccc(F)cc1)c1c(C)c(C=O)c(C)c(C)c1OC

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.64
KCNH2 Q12809 12/20 0.39

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
SCHEMBL9410733 1.00 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL8742908 0.92 TBXA2R (0.76) TBXA2RKCNH2
SCHEMBL8742865 0.92 TBXA2R (0.76) TBXA2RKCNH2
SCHEMBL9510704 0.87 TBXA2R (0.48) TBXA2RKCNH2
SCHEMBL9510695 0.87 TBXA2R (0.48) TBXA2RKCNH2
SCHEMBL9410730 0.85 TBXA2R (0.49) TBXA2RKCNH2
SCHEMBL9410728 0.85 TBXA2R (0.49) TBXA2RKCNH2
SCHEMBL9508363 0.82 TBXA2R (0.51) TBXA2RKCNH2
SCHEMBL9506921 0.82 TBXA2R (0.47) TBXA2RKCNH2
SCHEMBL9506901 0.82 TBXA2R (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 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