SCHEMBL8969255

SCHEMBL8969255

CC(C)(C)OC1CCCCCCC1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
NPY5R Q15761 1/20 0.44
GSR P00390 2/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8970178 1.00 NPY1R (0.44) NPY1RNPY2RNPY4RNPY5RGSR
SCHEMBL17471295 0.98 NPY1R (0.46) NPY1RNPY2RNPY4RNPY5RGSR
SCHEMBL8970399 0.98 NPY1R (0.46) NPY1RNPY2RNPY4RNPY5RGSR
SCHEMBL17471297 0.93 NPY1R (0.42) NPY1RNPY2RNPY4RNPY5RGSR
SCHEMBL8970230 0.93 NPY1R (0.42) NPY1RNPY2RNPY4RNPY5RGSR
SCHEMBL21049870 0.80 NPY1R (0.31) NPY1RNPY2RNPY4RNPY5R
SCHEMBL20995896 0.75
SCHEMBL11930083 0.73 CA1 (0.36) CA1CA2CA4
SCHEMBL8970471 0.73 GSR (0.48) NPY1RNPY2RNPY4RNPY5RGSR
SCHEMBL8969976 0.73 GSR (0.48) NPY1RNPY2RNPY4RNPY5RGSR

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
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed