SCHEMBL6058554

SCHEMBL6058554

C#CCN.CN(C)CC#Cc1cc(C(=O)O)cc(Br)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 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
SCHEMBL7160791 0.92 HTR1D (0.36) PREPHTR1DHTR1B
SCHEMBL6697474 0.85 HTR1D (0.39) PREPHTR1DHTR1B
SCHEMBL6058804 0.73 PREP (0.46) PREP
SCHEMBL6058502 0.64 PREP (0.45) PREP
SCHEMBL6542930 0.63 CA1 (0.52) PREP
SCHEMBL6705270 0.63 PREP (0.44) PREP
Biphenyl SCHEMBL7167410 0.61 PREP (0.40) PREP
SCHEMBL3296656 0.61 CA12 (0.41) PREP
SCHEMBL6155680 0.61 PLA2G2A (0.41) PREP
SCHEMBL28349078 0.59 CA12 (0.36) PREP

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
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP disclosed