SCHEMBL13015697

SCHEMBL13015697

C=COOCOc1c(C)cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(OCOOC=C)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)c3cc(C)c(OCC(=O)OC)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)cc2)cc1C(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31

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
SCHEMBL13400794 0.90 ESR1 (0.35) ESR1
SCHEMBL2192012 0.81 THRA (0.38) ESR1
SCHEMBL12258191 0.81 ESR1 (0.33) ESR1
SCHEMBL3453490 0.78 MMP1 (0.32)
SCHEMBL12419964 0.78
SCHEMBL13015702 0.77 ALDH1A1 (0.38)
SCHEMBL3452486 0.76 THRA (0.38) ESR1
SCHEMBL3452257 0.75 ELANE (0.36) ESR1
SCHEMBL3452453 0.75 THRB (0.40) ESR1
SCHEMBL3452356 0.73 RXRA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed