SCHEMBL1823633

SCHEMBL1823633

CCCN1CC(C(=O)O)C(=O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
PARP1 P09874 1/20 0.33
HTT P42858 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PTGS1 P23219 1/20 0.32
FKBP1A P62942 1/20 0.31
GBA1 P04062 1/20 0.31
MAPK10 P53779 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
SCHEMBL14829200 0.90 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1POLBGBA1
SCHEMBL14829141 0.85 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL11529096 0.72 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1POLBFKBP1A
SCHEMBL3147824 0.71 FKBP1A (0.40) ALDH1A1MAPTL3MBTL1SMN1; SMN2FKBP1A
SCHEMBL9044246 0.71 HTT (0.42) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL9043612 0.71 POLB (0.46) ALDH1A1POLBPARP1HTTSMN1; SMN2
SCHEMBL12741691 0.70 POLB (0.45) MAPTL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL9044339 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL12741676 0.68 P2RX7 (0.39) L3MBTL1FKBP1A
SCHEMBL316989 0.68 POLB (0.63) ALDH1A1MAPTL3MBTL1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed