SCHEMBL12242519

SCHEMBL12242519

C=CC(=O)Cc1ccc(C#Cc2ccc(C(=O)Oc3ccc(COC(=O)C=C)c(F)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
PRSS1 P07477 3/20 0.31
TMPRSS2 O15393 1/20 0.31
KLK1 P06870 1/20 0.31
THRB P10828 1/20 0.31
ACACB O00763 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MAOA P21397 1/20 0.31
ACR P10323 1/20 0.31
PPARA Q07869 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
SCHEMBL12242516 0.87 KMT2A (0.36) PRSS1THRBACACBACR
SCHEMBL12242486 0.87 FFAR1 (0.41) FFAR1FFAR4GSK3BBACE1ACACB
SCHEMBL12242513 0.86 THRB (0.39) PRSS1TMPRSS2KLK1THRBACACB
SCHEMBL12242560 0.86 THRB (0.39) PRSS1TMPRSS2KLK1THRBACACB
SCHEMBL12242553 0.77 FFAR1 (0.35) MAOBFFAR1FFAR4GSK3BBACE1
SCHEMBL12242527 0.76 FFAR1 (0.41) FFAR1FFAR4THRBACACB
SCHEMBL12242484 0.76 FFAR1 (0.41) FFAR1FFAR4THRBACACB
SCHEMBL12242487 0.75 ACACB (0.38) FFAR1ACACB
SCHEMBL12242515 0.75 FFAR1 (0.32) FFAR1THRBACACB
SCHEMBL12242489 0.74 ASIC3 (0.38) FFAR1THRBACACB

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