SCHEMBL8969980

SCHEMBL8969980

CCCCOC1CCCC1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.45
PPP5C P53041 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
GBA2 Q9HCG7 2/20 0.33
GSR P00390 2/20 0.33

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
SCHEMBL18603191 1.00 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL18605847 1.00 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL7195617 0.96 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL13326285 0.96 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL5831411 0.94 GBA1 (0.44) GBA1PPP5CCA1CA2CA4
SCHEMBL8970045 0.94 GBA1 (0.51) GBA1GBA2
SCHEMBL8969080 0.94 GBA1 (0.44) GBA1PPP5CCA1CA2CA4
SCHEMBL19526296 0.94 GBA1 (0.44) GBA1PPP5CCA1CA2CA4
SCHEMBL8969385 0.92 GBA1 (0.54) GBA1GBA2
SCHEMBL8970314 0.92 GBA1 (0.54) GBA1GBA2

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