SCHEMBL8970146

SCHEMBL8970146

CCCCCOC1CCC(O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.46
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CES2 O00748 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GBA2 Q9HCG7 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
SCHEMBL11187287 0.98 GBA1 (0.48) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL8970651 0.98 GBA1 (0.48) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL8970667 0.98 GBA1 (0.48) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL8970521 0.98 GBA1 (0.48) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL8970220 0.98 GBA1 (0.48) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL8969403 0.98 GBA1 (0.48) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL17384324 0.94 GBA1 (0.38) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL8970189 0.94 GBA1 (0.38) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL17384323 0.94 GBA1 (0.38) GBA1EPHX2ALDH1A1TDP1SPHK2
SCHEMBL2361579 0.89 GBA1 (0.43) GBA1EPHX2

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