SCHEMBL12242561

SCHEMBL12242561

C=C(C)C(=O)Cc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(COC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
ACACB O00763 7/20 0.37
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL12242498 1.00 FFAR1 (0.38) FFAR1ACACBALDH1A1POLBAPEX1
SCHEMBL12242526 0.96 FFAR1 (0.41) FFAR1ACACBALDH1A1POLBAPEX1
SCHEMBL12242559 0.96 FFAR1 (0.41) FFAR1ACACBALDH1A1POLBAPEX1
SCHEMBL12242485 0.96 FFAR1 (0.41) FFAR1ACACBALDH1A1POLBAPEX1
SCHEMBL12242562 0.89 KMT2A (0.38) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL12242411 0.86 FFAR1 (0.35) FFAR1ACACBALDH1A1POLBAPEX1
SCHEMBL12242491 0.85 ACACB (0.40) FFAR1ACACBPOLBAPEX1HTT
SCHEMBL12242517 0.85 KMT2A (0.39) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL24019226 0.83 ALDH1A1 (0.46) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL16125663 0.83 ALDH1A1 (0.46) ALDH1A1POLBAPEX1HTTTDP1

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