SCHEMBL6014270

SCHEMBL6014270

CCOC(=O)c1cc2cc3c(cc2nc1-c1cc(CC)ccc1NC(N)=O)OCO3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 9/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 5/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 5/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALOX15 P16050 3/20 0.39
PPP1CA P62136 2/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 2/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
HTT P42858 3/20 0.38

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
SCHEMBL6014251 0.92 ALDH1A1 (0.43) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014272 0.91 LMNA (0.41) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014229 0.90 ALDH1A1 (0.41) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014227 0.90 MAPT (0.40) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014309 0.90 TSHR (0.44) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6016092 0.89 ALDH1A1 (0.45) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014275 0.89 DHODH (0.42) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014258 0.88 L3MBTL1 (0.39) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014286 0.87 SMN1; SMN2 (0.46) LMNATDP1ALDH1A1HPGDHSD17B10
SCHEMBL6014234 0.85 MAPT (0.40) LMNATDP1ALDH1A1HPGDHSD17B10

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
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed