SCHEMBL9308097

SCHEMBL9308097

COc1c(C)c(C)c(OC)c(C(CCCCCCI)c2ccccc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.37
SIGMAR1 Q99720 4/20 0.36
CYP2C9 P11712 3/20 0.35
HTR2A P28223 3/20 0.34
HRH1 P35367 3/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 1/20 0.31
KCNH2 Q12809 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9311108 0.99 SIGMAR1 (0.36) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9310821 0.96 HRH1 (0.37) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9310562 0.87 MEN1 (0.42) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9310154 0.86 TBXA2R (0.39) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9308785 0.86 TBXA2R (0.39) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9307887 0.86 TBXA2R (0.39) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL10866141 0.86 SIGMAR1 (0.41) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9662366 0.84 SIGMAR1 (0.38) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9310772 0.83 HTR2A (0.36) TBXA2RSIGMAR1CYP2C9HTR2AHRH1
SCHEMBL9308388 0.83 TBXA2R (0.56) TBXA2RCYP2C9MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed