SCHEMBL8970071

SCHEMBL8970071

CCC(C)CC(=O)OC1CCSC1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ELANE P08246 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
SCHEMBL8969471 0.87 MMP1 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8970898 0.82 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8970044 0.77
SCHEMBL8969271 0.74 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL8969358 0.74 NAAA (0.51)
SCHEMBL8970236 0.72 ELANE (0.31) ELANE
SCHEMBL8969089 0.72
SCHEMBL8969256 0.72 ALDH1A1 (0.35)
SCHEMBL28445297 0.71 MEN1 (0.40) CHRM2CHRM4CHRM1CHRM3ELANE
SCHEMBL8969585 0.71 RAB9A (0.35)

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