SCHEMBL8970110

SCHEMBL8970110

CC(C)C(=O)OC1CSCC1O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 2/20 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
SCHEMBL20026408 0.85 STING1 (0.43) STING1PPARG
SCHEMBL21452655 0.85 STING1 (0.43) STING1PPARG
SCHEMBL21884176 0.85 STING1 (0.43) STING1PPARG
SCHEMBL20022170 0.84 STING1 (0.32) STING1
SCHEMBL8969513 0.78 KMT2A (0.31) KMT2ANPSR1
SCHEMBL8970352 0.78 KMT2A (0.50) KMT2ANPSR1
SCHEMBL8970162 0.73 CHRM2 (0.39) KMT2ANPSR1
SCHEMBL8969260 0.73 ELANE (0.32) STING1
SCHEMBL8970456 0.71
SCHEMBL16248468 0.71 GSR (0.37)

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