SCHEMBL8970048

SCHEMBL8970048

CCCOC(=O)C1SCCC1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8969232 0.90 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL8970266 0.89 NAAA (0.40) HCAR2ALDH1A1
SCHEMBL8969139 0.87 NAAA (0.42) HCAR2ALDH1A1
SCHEMBL8970078 0.87 NAAA (0.42) HCAR2ALDH1A1
SCHEMBL8970689 0.87 NAAA (0.42) HCAR2ALDH1A1
SCHEMBL8969475 0.87 NAAA (0.42) HCAR2ALDH1A1
SCHEMBL8970637 0.87 NAAA (0.42) HCAR2ALDH1A1
SCHEMBL8970062 0.86 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL8970466 0.82 ALOX15 (0.32)
SCHEMBL8970387 0.79 EPHX2 (0.31)

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