SCHEMBL8969885

SCHEMBL8969885

CCCC(C)C(=O)OC1CSCC1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
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
HSD17B10 Q99714 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
SCHEMBL8970265 0.82
SCHEMBL20026409 0.77 STING1 (0.43) STING1
SCHEMBL5052879 0.75 GSR (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM2
SCHEMBL4781335 0.75 CHRM2 (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM2
SCHEMBL14032017 0.74 STING1 (0.48) STING1SMN1; SMN2
SCHEMBL22291689 0.74 STING1 (0.48) STING1SMN1; SMN2
SCHEMBL5052877 0.73 NAAA (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM2
SCHEMBL8970490 0.71 TSHR (0.32)
SCHEMBL21554062 0.71 CHRM1 (0.38) STING1SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL8970352 0.70 KMT2A (0.50) MEN1KMT2ACHRM2CHRM1CHRM3

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