SCHEMBL9288293

SCHEMBL9288293

C=CCc1ccc(-c2ccc(-c3ccc(C#CCCC(C)CF)cn3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL9285329 0.87
SCHEMBL9286994 0.86 KDM4E (0.35) GRM5RAB9AL3MBTL1MAPTMAPK1
SCHEMBL7552712 0.85 L3MBTL1 (0.33) GRM5RAB9AL3MBTL1MAPTNPC1
SCHEMBL7557671 0.84 RAB9A (0.33) GRM5RAB9AL3MBTL1MAPTNPC1
SCHEMBL7555432 0.80 RAB9A (0.32) RAB9AL3MBTL1MAPTNPC1NFKB1
SCHEMBL7551619 0.80 RAB9A (0.32) RAB9AL3MBTL1MAPTNPC1NFKB1
SCHEMBL9288826 0.79 SMN1; SMN2 (0.44) RAB9AL3MBTL1MAPTNPC1NFKB1
SCHEMBL7549550 0.79 RAB9A (0.35) RAB9AL3MBTL1MAPTNPC1NFKB1
SCHEMBL7560671 0.77 RAB9A (0.36) RAB9AL3MBTL1MAPTNPC1NFKB1
SCHEMBL8517876 0.76 RAB9A (0.35) GRM5RAB9AL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed