SCHEMBL12242550

SCHEMBL12242550

C=CC(=O)COC(=O)c1ccc(C#Cc2c(F)cc(-c3ccc(OCOC(=O)C=C)cc3)cc2F)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL12242495 0.91 FFAR1 (0.34) KDM4ETHRB
SCHEMBL12242493 0.80 FFAR1 (0.42) KDM4ELMNATHRB
SCHEMBL12242532 0.78 FFAR1 (0.40) GAALMNATHRBADRB2ADRB1
SCHEMBL12242503 0.78 FFAR1 (0.40) GAALMNATHRBADRB2ADRB1
SCHEMBL12242511 0.78 FFAR1 (0.38) LMNATHRBADRB2ADRB1ADRB3
SCHEMBL12242557 0.77 FFAR1 (0.35) KDM4ELMNA
SCHEMBL12242522 0.77 FFAR1 (0.45) GAATHRB
SCHEMBL12242480 0.77 FFAR1 (0.45) GAATHRB
SCHEMBL12154265 0.77 MAPT (0.34) THRB
SCHEMBL12242515 0.76 FFAR1 (0.32) THRB

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-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed