SCHEMBL8969080

SCHEMBL8969080

CCCCOC1CCCCCC1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
GSR P00390 2/20 0.39
CYP1A2 P05177 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
PPP5C P53041 1/20 0.36
NAAA Q02083 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19526296 1.00 GBA1 (0.44) GBA1CA1CA2CA4GSR
SCHEMBL5831411 1.00 GBA1 (0.44) GBA1CA1CA2CA4GSR
SCHEMBL13326285 0.98 GBA1 (0.45) GBA1CA1CA2CA4GSR
SCHEMBL7195617 0.98 GBA1 (0.45) GBA1CA1CA2CA4GSR
SCHEMBL8970463 0.94 GBA1 (0.50) GBA1CA1CA2CA4GSR
SCHEMBL8969566 0.94 GBA1 (0.50) GBA1CA1CA2CA4GSR
SCHEMBL18603191 0.94 GBA1 (0.45) GBA1CA1CA2CA4GSR
SCHEMBL8969980 0.94 GBA1 (0.45) GBA1CA1CA2CA4GSR
SCHEMBL18605847 0.94 GBA1 (0.45) GBA1CA1CA2CA4GSR
SCHEMBL8970213 0.93 GBA1 (0.53) GBA1CA1CA2CA4NAAA

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