SCHEMBL4270841

SCHEMBL4270841

CCCN1CC=C(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 3/20 0.39

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
SCHEMBL13804029 0.86 LMNA (0.36) SIGMAR1
SCHEMBL2691080 0.85 SIGMAR1 (0.37) SIGMAR1
Hydrochloric Acid SCHEMBL1399926 0.84 LMNA (0.38)
SCHEMBL8971010 0.78 MAOA (0.50) SIGMAR1
Hydrochloric Acid SCHEMBL9568957 0.76 SIGMAR1 (0.34) SIGMAR1
SCHEMBL3841650 0.76 QDPR (0.43)
SCHEMBL4233609 0.75 SIGMAR1 (0.60) ALDH1A1MAPTSMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL11074886 0.74 QDPR (0.42)
Hydrochloric Acid SCHEMBL9704069 0.74 QDPR (0.42)
SCHEMBL13564385 0.72 HTR6 (0.42) SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed