SCHEMBL8969513

SCHEMBL8969513

CC(C)C(=O)OC1CSCC1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8970265 0.81
SCHEMBL8970231 0.79 KMT2A (0.47) KMT2ANPSR1KDM4E
SCHEMBL8969365 0.78 MMP1 (0.35)
SCHEMBL8970110 0.78 STING1 (0.33) KMT2ANPSR1
SCHEMBL8970016 0.78 ACE (0.32)
SCHEMBL8970469 0.75 GRM2 (0.34) KMT2ANPSR1KDM4E
SCHEMBL8969961 0.75 CHRM2 (0.37) KMT2ANPSR1KDM4E
SCHEMBL8970043 0.75 KMT2A (0.32) KMT2ANPSR1KDM4E
SCHEMBL8970218 0.74 GRM2 (0.35)
SCHEMBL8970275 0.70 ALDH1A1 (0.36)

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