SCHEMBL8742437

SCHEMBL8742437

CCOC(=O)N[C@@H](C)[C@H](O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.49
ACACB O00763 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FAAH O00519 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18538114 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1LMNAHTTKMT2A
SCHEMBL13980882 0.84 ALDH1A1 (0.56) SMN1; SMN2LMNAHTTKMT2AGLA
SCHEMBL9699204 0.84 ALDH1A1 (0.56) SMN1; SMN2LMNAHTTKMT2AGLA
SCHEMBL9699210 0.84 ALDH1A1 (0.56) SMN1; SMN2LMNAHTTKMT2AGLA
SCHEMBL19975546 0.83 NPY5R (0.49) KMT2AACACBGAAGPR88RAB9A
SCHEMBL3014291 0.83 NPY5R (0.49) KMT2AACACBGAAGPR88RAB9A
SCHEMBL3014293 0.83 NPY5R (0.49) KMT2AACACBGAAGPR88RAB9A
SCHEMBL18082662 0.80 ACACB (0.57) KMT2AACACBGPR88RAB9ANPSR1
SCHEMBL11764494 0.80 ALOX15 (0.51) LMNAKMT2AGLAALOX15GAA
SCHEMBL850878 0.80 NPSR1 (0.49) MAPK1LMNAKMT2AACACBGPR88

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-0603414-B1 (-)-RITODRINE MEIJI SEIKA CO (JP) 1997-02-12 EP disclosed
US-5449694-A Muscle relaxants for threatened premature birth and abortion; dysmenorrhea MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-09-12 US disclosed
EP-0603414-A1 (-)-RITODRINE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1994-06-29 EP disclosed