SCHEMBL8969294

SCHEMBL8969294

CCCCOC(=O)C1CSCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
PPARG P37231 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NAAA Q02083 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8970154 0.95 PPARG (0.43) ALDH1A1HCAR2PPARGCHRM2CHRM4
SCHEMBL8970105 0.94 PPARG (0.45) HCAR2PPARGCHRM2CHRM4CHRM5
SCHEMBL8970447 0.94 PPARG (0.45) HCAR2PPARGCHRM2CHRM4CHRM5
SCHEMBL8971150 0.94 PPARG (0.45) HCAR2PPARGCHRM2CHRM4CHRM5
SCHEMBL8969975 0.94 PPARG (0.45) HCAR2PPARGCHRM2CHRM4CHRM5
SCHEMBL8970238 0.94 PPARG (0.45) HCAR2PPARGCHRM2CHRM4CHRM5
SCHEMBL8970499 0.90 PPM1B (0.45) ALDH1A1HCAR2PPARGCHRM2CHRM4
SCHEMBL8970990 0.83 ALDH1A1 (0.41) ALDH1A1ATMHCAR2CHRM2CHRM4
SCHEMBL10329696 0.82 ALDH1A1 (0.47) ALDH1A1ATMHCAR2PPARGCHRM2
SCHEMBL1297978 0.82 ALDH1A1 (0.47) ALDH1A1ATMHCAR2PPARGCHRM2

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