SCHEMBL8969975

SCHEMBL8969975

CCCCCCOC(=O)C1CSCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.40
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL8970105 1.00 PPARG (0.45) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8970447 1.00 PPARG (0.45) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8970238 1.00 PPARG (0.45) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8971150 1.00 PPARG (0.45) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8970154 0.98 PPARG (0.43) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8969294 0.94 ALDH1A1 (0.41) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8970499 0.87 PPM1B (0.45) PPARGHCAR2CHRM2CHRM4CHRM5
SCHEMBL8969473 0.84 NAAA (0.43) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8969051 0.84 NAAA (0.43) PPARGNAAAHCAR2CHRM2CHRM4
SCHEMBL8970001 0.84 NAAA (0.43) PPARGNAAAHCAR2CHRM2CHRM4

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