SCHEMBL9506914

SCHEMBL9506914

COC(=O)CCCCCC(c1ccc(F)cc1)c1c2c(c(C)c(C)c1OC)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.47
KCNH2 Q12809 12/20 0.41
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL9510760 0.89 TBXA2R (0.59) TBXA2RKCNH2SLC6A3
SCHEMBL9507158 0.88 TBXA2R (0.44) TBXA2RKCNH2
SCHEMBL9508207 0.87 TBXA2R (0.59) TBXA2RKCNH2SLC6A3
SCHEMBL9508363 0.84 TBXA2R (0.51) TBXA2RKCNH2SLC6A3
SCHEMBL9410730 0.82 TBXA2R (0.49) TBXA2RKCNH2
SCHEMBL9410728 0.82 TBXA2R (0.49) TBXA2RKCNH2
SCHEMBL9506882 0.81 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9410733 0.81 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9506901 0.80 TBXA2R (0.47) TBXA2RKCNH2
SCHEMBL9506921 0.80 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