SCHEMBL6014275

SCHEMBL6014275

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
RAB9A P51151 7/20 0.41
MAPT P10636 7/20 0.41
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 6/20 0.40
HTT P42858 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
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 10/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
HSD17B10 Q99714 4/20 0.39

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
SCHEMBL6014227 0.90 MAPT (0.40) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6014251 0.90 ALDH1A1 (0.43) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6014272 0.89 LMNA (0.41) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6014270 0.89 LMNA (0.41) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6014309 0.89 TSHR (0.44) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6014229 0.89 ALDH1A1 (0.41) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6016092 0.88 ALDH1A1 (0.45) DHODHRAB9AMAPTTSHRNPC1
SCHEMBL6014258 0.86 L3MBTL1 (0.39) DHODHRAB9AMAPTTSHRL3MBTL1
SCHEMBL6014286 0.85 SMN1; SMN2 (0.46) DHODHRAB9AMAPTNPC1HTT
SCHEMBL6014234 0.83 MAPT (0.40) DHODHRAB9AMAPTTSHRL3MBTL1

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