SCHEMBL103180

SCHEMBL103180

C=Cc1ccc(-c2ccc(C(OO)c3ccc(C=C)cc3C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL103526 0.83 IDO1 (0.35) PTGS2TRPA1ALDH1A1IDO1TDO2
SCHEMBL102855 0.81 ALDH1A1 (0.44) PTGS2TRPA1ALDH1A1TDP1
SCHEMBL103531 0.79 PTGS2 (0.35) PTGS2ALDH1A1
SCHEMBL17897413 0.76 ALDH1A1 (0.50) PTGS2TRPA1ALDH1A1TDP1IDO1
SCHEMBL20045124 0.75 PTGS2 (0.34) PTGS2TRPA1
SCHEMBL103183 0.74 APP (0.34) PTGS2PTGS1IDO1TDO2
SCHEMBL103695 0.71 APP (0.36) PTGS2PTGS1
SCHEMBL17445755 0.69 ICAM1 (0.36) TRPA1
SCHEMBL16954753 0.69 TDP1 (0.42) PTGS2TRPA1PTGS1ALDH1A1TP53
SCHEMBL17445753 0.68 ALDH1A1 (0.41) ALDH1A1TP53TDP1

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