SCHEMBL16370586

SCHEMBL16370586

CCCCCN1CC=C(O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
ALDH1A1 P00352 5/20 0.39
MGLL Q99685 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
FAAH O00519 3/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.36
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7184113 0.71 MGLL (0.43) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL8803997 0.70 PLA2G2A (0.47) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL9789698 0.69 MGLL (0.44) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL4017035 0.67 MGLL (0.47) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL6779927 0.67 MGLL (0.50) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL7098284 0.67 GBA1 (0.42) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL4421172 0.66 GBA1 (0.44) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL31601846 0.66 MGLL (0.50) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL31602018 0.66 MGLL (0.50) GBA1ALDH1A1MGLLPTGS1PTGS2
SCHEMBL20441233 0.66 MGLL (0.50) GBA1ALDH1A1MGLLPTGS1PTGS2

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
WO-2015004610-A1 1,5-DIHYDROPYRROL-2-ONE DERIVATIVES AS INHIBITORS OF P53-MDM2/MDM4 PROTEIN-PROTEIN INTERACTION ADAMED SP. Z O.O. (PL) 2015-01-15 WO disclosed