SCHEMBL12242513

SCHEMBL12242513

C=CC(=O)Cc1ccc(C#Cc2ccc(C(=O)Oc3ccc(COC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
PRSS1 P07477 4/20 0.38
KLK1 P06870 3/20 0.38
TMPRSS2 O15393 2/20 0.38
ACACB O00763 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
F2 P00734 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
SLC22A2 O15244 1/20 0.34
HPN P05981 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL12242560 1.00 THRB (0.39) THRBKMT2AMAPTPRSS1KLK1
SCHEMBL12242484 0.88 FFAR1 (0.41) THRBKMT2AACACBTSHRMEN1
SCHEMBL12242527 0.88 FFAR1 (0.41) THRBKMT2AACACBTSHRMEN1
SCHEMBL12242519 0.86 MAOB (0.34) THRBPRSS1KLK1TMPRSS2ACACB
SCHEMBL12242628 0.85 THRB (0.50) THRBKMT2AMAPTPRSS1KLK1
SCHEMBL12242529 0.84 THRB (0.42) THRBKMT2AMAPTACACB
SCHEMBL12242528 0.84 CA12 (0.43) THRBKMT2AMAPTACACBMEN1
SCHEMBL12242530 0.84 CA12 (0.43) THRBKMT2AMAPTACACBMEN1
SCHEMBL12242502 0.84 FFAR1 (0.39) THRBACACBTSHRALDH1A1GAA
SCHEMBL12242516 0.84 KMT2A (0.36) THRBKMT2AMAPTPRSS1ACACB

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