SCHEMBL8969828

SCHEMBL8969828

CCCC(=O)OC1CSCC1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SLC18A3 Q16572 1/20 0.35
NAAA Q02083 2/20 0.34
PRKCA P17252 6/20 0.33
NPSR1 Q6W5P4 2/20 0.31
KMT2A Q03164 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
SCHEMBL8970369 0.90 NAAA (0.42) NAAAPRKCA
SCHEMBL8970291 0.88 NAAA (0.49) NAAAPRKCA
SCHEMBL8970915 0.87 NAAA (0.51) NAAAPRKCA
SCHEMBL8970473 0.87 NAAA (0.51) NAAAPRKCA
SCHEMBL8970774 0.87 NAAA (0.51) NAAAPRKCA
SCHEMBL8969242 0.87 NAAA (0.51) NAAAPRKCA
SCHEMBL8970162 0.85 CHRM2 (0.39) NPSR1KMT2A
SCHEMBL8969318 0.79 ALDH1A1 (0.36) ALDH1A1SLC18A3NAAAPRKCANPSR1
SCHEMBL8969260 0.77 ELANE (0.32)
SCHEMBL8970352 0.75 KMT2A (0.50) NPSR1KMT2A

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 3 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