SCHEMBL6014251

SCHEMBL6014251

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
DHODH Q02127 1/20 0.40
MAPT P10636 5/20 0.38
TSHR P16473 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 5/20 0.38
ALOX15 P16050 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 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
SCHEMBL6014270 0.92 LMNA (0.41) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014272 0.92 LMNA (0.41) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014309 0.91 TSHR (0.44) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014227 0.91 MAPT (0.40) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014229 0.91 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014275 0.90 DHODH (0.42) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6016092 0.90 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014258 0.89 L3MBTL1 (0.39) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014286 0.88 SMN1; SMN2 (0.46) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL6014234 0.85 MAPT (0.40) ALDH1A1HPGDHSD17B10LMNATDP1

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