SCHEMBL9800440

SCHEMBL9800440

CC(=O)N[C@@H](C(=O)O)C1CCC(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CRBN Q96SW2 1/20 0.32
SMYD3 Q9H7B4 2/20 0.32
DPP4 P27487 1/20 0.31
PYGL P06737 3/20 0.31
CYP2C9 P11712 2/20 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
SCHEMBL9800441 1.00 KDM4E (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13544389 0.90 SMN1; SMN2 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31730569 0.90 SMN1; SMN2 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19083735 0.90 SMN1; SMN2 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19083742 0.82 SMN1; SMN2 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10445869 0.82 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10442216 0.82 SMN1; SMN2 (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19083902 0.82 SMN1; SMN2 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3285856 0.81 MMP2 (0.41) SMN1; SMN2ALDH1A1DPP4PYGLCYP2C9
SCHEMBL329758 0.81 MMP2 (0.41) SMN1; SMN2ALDH1A1DPP4PYGLCYP2C9

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-0230037-B1 CYTOPROTECTIVE DERIVATIVES USEFUL IN ISCHEMIC DISEASES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM ITALFARMACO S.p.A. (IT) 1991-03-06 EP disclosed
US-4789681-A CARDIOPROTECTIVE AGENTS ITALFARMACO S.P.A. (IT) 1988-12-06 US disclosed
EP-0230037-A1 Cytoprotective derivatives useful in ischemic diseases, their preparation and compositions containing them ITALFARMACO S.p.A. (IT) 1987-07-29 EP disclosed