SCHEMBL9335388

SCHEMBL9335388

CCC#Cc1ccc(C#Cc2ccc(OCCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
LTA4H P09960 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MCHR1 Q99705 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL9333010 0.92 CHRNB2 (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18290925 0.90 LTA4H (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16706066 0.90 ACACB (0.57) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3434851 0.90 ACACB (0.57) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9333143 0.89 NR5A1 (0.53) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9333448 0.87 NR5A1 (0.56) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9335357 0.87 NR5A1 (0.56) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9332649 0.87 NR5A1 (0.56) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9333059 0.87 ACACB (0.50) ACACBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8039067 0.86 ACACB (0.52) ACACBCHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed
EP-0377516-A2 Liquid crystal compounds having high optical anisotropy Chisso Corporation (JP) 1990-07-11 EP disclosed