SCHEMBL7778145

SCHEMBL7778145

CCCCCC(=O)Oc1ccc(N2C[C@@H](c3ccccc3)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GRM2 Q14416 13/20 0.48
FADS1 O60427 2/20 0.47
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7775406 0.78 GRM2 (0.56) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL7770542 0.78 GRM2 (0.48) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL9016279 0.74 FADS1 (0.79) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL7775283 0.73 FADS1 (0.65) GRM2FADS1ROCK2ROCK1HTR6
SCHEMBL538653 0.72 PRSS1 (0.58) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL727008 0.71 PRSS1 (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10953095 0.71 PRSS1 (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL19810533 0.71 PRSS1 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10959370 0.71 PRSS1 (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10911326 0.71 PRSS1 (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1

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-0683158-B1 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 2001-08-16 EP disclosed
US-5624600-A Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed
EP-0683158-A2 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-11-22 EP disclosed