SCHEMBL8970269

SCHEMBL8970269

CC(C)(C)OC(=O)C1SCCC1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL8969119 0.79 CHRM2 (0.33) CHRM2CHRM3
SCHEMBL9397953 0.79 CHRM2 (0.33) CHRM2CHRM3
SCHEMBL8969970 0.74 TSHR (0.32)
SCHEMBL8970062 0.74 PPM1B (0.38)
SCHEMBL8970048 0.71 PPM1B (0.41)
SCHEMBL8969325 0.70 RAB9A (0.35) CHRM2CHRM1CHRM3
SCHEMBL16940488 0.70 MAPK1 (0.37) CHRM2CHRM1CHRM3HRH3MAPK1
SCHEMBL603520 0.68 HRH3 (0.46) CHRM2CHRM1CHRM3HRH3MAPK1
SCHEMBL4892934 0.68 HRH3 (0.46) CHRM2CHRM1CHRM3HRH3MAPK1
SCHEMBL603521 0.68 HRH3 (0.46) CHRM2CHRM1CHRM3HRH3MAPK1

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