SCHEMBL12314517

SCHEMBL12314517

Cc1ccc(OCC#Cc2ccc(C#CCOc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.58
▸ KCNH2 Q12809 5/20 0.50
▸ EGLN1 Q9GZT9 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10834137 0.88 GRM5 (0.52) GRM5KCNH2EGLN1CA12CA1
SCHEMBL12314512 0.83 GRM5 (0.53) GRM5KCNH2EGLN1ALDH1A1MAPT
SCHEMBL12314565 0.81 DRD2 (0.43) GRM5KCNH2EGLN1CA12CA1
SCHEMBL18608233 0.81 KCNH2 (0.51) GRM5KCNH2CA12CA1CA2
SCHEMBL2908938 0.81 ADAM17 (0.51) GRM5KCNH2DRD2DRD4DRD3
SCHEMBL12314518 0.81 GRM5 (0.51) GRM5KCNH2EGLN1ALDH1A1MAPT
SCHEMBL12389056 0.79 GRM5 (0.50) GRM5KCNH2EGLN1MEN1KMT2A
SCHEMBL10572708 0.79 GRM5 (0.50) GRM5KCNH2MEN1KMT2AALDH1A1
SCHEMBL11201791 0.79 GRM5 (0.50) GRM5KCNH2EGLN1ALDH1A1MAPT
SCHEMBL14085293 0.79 GRM5 (0.50) GRM5KCNH2MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263732-B2 Photo-alignment film and liquid crystal display element JNC CORPORATION (JP) 2012-09-11 — — US disclosed
US-8263732-B2 Photo-alignment film and liquid crystal display element JNC CORPORATION (JP) 2012-09-11 — — US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 — — US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 — — US disclosed
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