SCHEMBL9506921

SCHEMBL9506921

CCCCCc1c(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
PTGER2 P43116 4/20 0.42
PPARG P37231 2/20 0.41
KCNH2 Q12809 3/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL9506901 0.86 TBXA2R (0.47) TBXA2RPTGER2PPARGKCNH2PTGER4
SCHEMBL9410728 0.83 TBXA2R (0.49) TBXA2RPPARGKCNH2
SCHEMBL9410730 0.83 TBXA2R (0.49) TBXA2RPPARGKCNH2
SCHEMBL9410733 0.82 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9506882 0.82 TBXA2R (0.64) TBXA2RKCNH2
SCHEMBL9510695 0.81 TBXA2R (0.48) TBXA2RPTGER2PPARGKCNH2
SCHEMBL9510704 0.81 TBXA2R (0.48) TBXA2RPTGER2PPARGKCNH2
SCHEMBL9508363 0.81 TBXA2R (0.51) TBXA2RKCNH2
SCHEMBL9506914 0.80 TBXA2R (0.47) TBXA2RKCNH2
SCHEMBL9699631 0.79 TBXA2R (0.76) TBXA2RPTGER2

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