SCHEMBL9506901

SCHEMBL9506901

CCCCC(O)c1c(C)c(C)c(OC)c(C(CCCCCC(=O)OC)c2ccc(F)cc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.47
PPARG P37231 2/20 0.43
PTGER2 P43116 5/20 0.41
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PPARA Q07869 1/20 0.39
KCNH2 Q12809 3/20 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
SCHEMBL9410728 0.89 TBXA2R (0.49) TBXA2RPPARGKCNH2
SCHEMBL9410730 0.89 TBXA2R (0.49) TBXA2RPPARGKCNH2
SCHEMBL9506921 0.86 TBXA2R (0.47) TBXA2RPPARGPTGER2PTGER4PTGER3
SCHEMBL9410733 0.82 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9506882 0.82 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9510695 0.81 TBXA2R (0.48) TBXA2RPPARGPTGER2KCNH2
SCHEMBL9510704 0.81 TBXA2R (0.48) TBXA2RPPARGPTGER2KCNH2
SCHEMBL9508363 0.81 TBXA2R (0.51) TBXA2RKCNH2
SCHEMBL8742994 0.81 TBXA2R (0.59) TBXA2RKCNH2
SCHEMBL8742986 0.81 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 2 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