SCHEMBL8970637

SCHEMBL8970637

CCCCCCOC(=O)C1SCCC1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
GBA2 Q9HCG7 1/20 0.41
EPHX1 P07099 1/20 0.40
TSHR P16473 3/20 0.39
PPARG P37231 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8969139 1.00 NAAA (0.42) NAAAGBA2EPHX1TSHRPPARG
SCHEMBL8969475 1.00 NAAA (0.42) NAAAGBA2EPHX1TSHRPPARG
SCHEMBL8970689 1.00 NAAA (0.42) NAAAGBA2EPHX1TSHRPPARG
SCHEMBL8970078 1.00 NAAA (0.42) NAAAGBA2EPHX1TSHRPPARG
SCHEMBL8970266 0.98 NAAA (0.40) NAAAGBA2EPHX1TSHRPPARG
SCHEMBL8969232 0.94 ALDH1A1 (0.40) NAAAGBA2TSHRMAPK1SMN1; SMN2
SCHEMBL9863117 0.78 ALDH1A1 (0.40) NAAAEPHX1TSHRMAPK1SMN1; SMN2
SCHEMBL9863118 0.76 ALDH1A1 (0.38) TSHRPPARGMAPK1SMN1; SMN2HCAR2
SCHEMBL5935788 0.74 NAAA (0.43) NAAAEPHX1TSHRPPARGGAA
SCHEMBL1296678 0.73 NAAA (0.59) NAAAEPHX1TSHRPPARGGAA

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