SCHEMBL8970352

SCHEMBL8970352

CC(=O)OC1CSCC1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.44
CHRM2 P08172 5/20 0.37
CHRM1 P11229 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL12589655 0.88 KMT2A (0.47) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL2761304 0.83 KMT2A (0.39) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL2761303 0.83 KMT2A (0.39) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL5132662 0.80 KMT2A (0.51) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL8970162 0.78 CHRM2 (0.39) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL8970231 0.75 KMT2A (0.47) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL8969828 0.75 ALDH1A1 (0.39) KMT2ANPSR1
SCHEMBL8970369 0.72 NAAA (0.42)
SCHEMBL12972645 0.72 KMT2A (0.43) KMT2ANPSR1KDM4ECHRM2CHRM1
SCHEMBL8969171 0.72

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