SCHEMBL8969088

SCHEMBL8969088

CCCC(=O)OC1CCSC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 1/20 0.35
NAAA Q02083 2/20 0.35
PRKCA P17252 6/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL8969291 0.91 NAAA (0.43) NAAAPRKCA
SCHEMBL8970042 0.88 NAAA (0.51) NAAAPRKCA
SCHEMBL8969146 0.88 NAAA (0.51) NAAAPRKCA
SCHEMBL8969059 0.88 NAAA (0.51) NAAAPRKCA
SCHEMBL8969358 0.88 NAAA (0.51) NAAAPRKCA
SCHEMBL8970898 0.87 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8969471 0.79 MMP1 (0.34) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8970046 0.74 PPP5C (0.44) ALDH1A1
SCHEMBL8969548 0.73
SCHEMBL8970163 0.72 GBA1 (0.40) ALDH1A1NAAA

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