SCHEMBL9508176

SCHEMBL9508176

Cc1cc(C)c(O)c(C(CCCCCCO)c2ccccc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.47
TRPA1 O75762 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
SOAT2 O75908 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34
ALOX5 P09917 2/20 0.33

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
SCHEMBL9066613 0.75 TBXA2R (0.65) TBXA2R
SCHEMBL5412370 0.75 HRH1 (0.56) TRPA1SIGMAR1HTR2AHRH1
SCHEMBL9507218 0.75 TBXA2R (0.76) TBXA2RHTR2AHRH1
SCHEMBL5410942 0.73 HRH1 (0.58) TRPA1SIGMAR1HTR2AHRH1
SCHEMBL9308823 0.72 TBXA2R (0.39) TBXA2RTRPA1SIGMAR1HTR2AHRH1
SCHEMBL9310154 0.72 TBXA2R (0.39) TBXA2RTRPA1SIGMAR1HTR2AHRH1
SCHEMBL9308785 0.72 TBXA2R (0.39) TBXA2RTRPA1SIGMAR1HTR2AHRH1
SCHEMBL9307887 0.72 TBXA2R (0.39) TBXA2RTRPA1SIGMAR1HTR2AHRH1
SCHEMBL9309778 0.70 TBXA2R (0.38) TBXA2RTRPA1SIGMAR1HTR2AHRH1
SCHEMBL3605125 0.70 HPGD (0.38) TBXA2RTRPA1

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