SCHEMBL103531

SCHEMBL103531

C=Cc1ccc(-c2ccc(C(OO)c3ccc(C=C)c(C)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL102855 0.83 ALDH1A1 (0.44) PTGS2ALDH1A1
SCHEMBL103180 0.79 PTGS2 (0.38) PTGS2ALDH1A1
SCHEMBL17897413 0.78 ALDH1A1 (0.50) PTGS2ALDH1A1
SCHEMBL17445755 0.77 ICAM1 (0.36)
SCHEMBL20045123 0.76 PTGS2 (0.30) PTGS2
SCHEMBL17897403 0.73 CHRNB2 (0.35) PTGS2
SCHEMBL17445753 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL103695 0.70 APP (0.36) PTGS2
SCHEMBL103526 0.70 IDO1 (0.35) PTGS2ALDH1A1
SCHEMBL7086584 0.69 TDP1 (0.46) PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed