SCHEMBL8969271

SCHEMBL8969271

CCCC(C)C(=O)OC1CCSC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4781335 0.75 CHRM2 (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL8970071 0.74 CHRM2 (0.34) CHRM2CHRM1CHRM3
SCHEMBL5052877 0.73 NAAA (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL8970265 0.72
SCHEMBL8970973 0.72 PPM1B (0.34)
SCHEMBL8969256 0.72 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL8969585 0.71 RAB9A (0.35)
SCHEMBL8970246 0.69
SCHEMBL5052879 0.69 GSR (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL8969885 0.69 STING1 (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4

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