SCHEMBL6016092

SCHEMBL6016092

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
HPGD P15428 6/20 0.45
KDM4E B2RXH2 6/20 0.45
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 2/20 0.42
CLK1 P49759 1/20 0.42
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40

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 0.90 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014272 0.89 LMNA (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014270 0.89 LMNA (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014229 0.89 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014227 0.89 MAPT (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014309 0.89 TSHR (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014275 0.88 DHODH (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014258 0.86 L3MBTL1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL6014286 0.85 SMN1; SMN2 (0.46) ALDH1A1HPGDMAPTNPSR1HTT
SCHEMBL6014234 0.83 MAPT (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1

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