SCHEMBL8970164

SCHEMBL8970164

CCCCOC1CSCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.46
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
GBA1 P04062 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
S1PR3 Q99500 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
GRIK2 Q13002 1/20 0.31
S1PR5 Q9H228 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8969022 0.95 PPP5C (0.41) PPP5CALDH1A1USP2GAAGBA1
SCHEMBL8969092 0.94 GBA1 (0.41) PPP5CALDH1A1GBA1S1PR3HCAR2
SCHEMBL8969443 0.94 GBA1 (0.41) PPP5CALDH1A1GBA1S1PR3HCAR2
SCHEMBL8970931 0.94 GBA1 (0.41) PPP5CALDH1A1GBA1S1PR3HCAR2
SCHEMBL8970413 0.94 GBA1 (0.41) PPP5CALDH1A1GBA1S1PR3HCAR2
SCHEMBL8970773 0.94 GBA1 (0.41) PPP5CALDH1A1GBA1S1PR3HCAR2
SCHEMBL8969140 0.90 GRM2 (0.35) PPP5CGRM2GRM3
SCHEMBL8970275 0.82 ALDH1A1 (0.36) ALDH1A1GRM2GRM3
SCHEMBL8969248 0.78 GRM2 (0.31) GRM2GRM3
SCHEMBL8969243 0.78 NAAA (0.41) ALDH1A1USP2GAA

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