SCHEMBL8969961

SCHEMBL8969961

CCC(=O)OC1CSCC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BCHE P06276 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32

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
SCHEMBL8969318 0.86 ALDH1A1 (0.36) NPSR1GRM2GRM3
SCHEMBL8969243 0.83 NAAA (0.41) NPSR1BCHE
SCHEMBL8969365 0.81 MMP1 (0.35) GRM2GRM3
SCHEMBL8969230 0.81 NAAA (0.49)
SCHEMBL8970231 0.79 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL8970275 0.78 ALDH1A1 (0.36) GRM2GRM3
SCHEMBL8970162 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3NPSR1
SCHEMBL8969140 0.75 GRM2 (0.35) GRM2GRM3
SCHEMBL8970469 0.75 GRM2 (0.34) NPSR1KMT2AKDM4EGRM2
SCHEMBL8970043 0.75 KMT2A (0.32) NPSR1KMT2AKDM4EGRM2

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