SCHEMBL6014285

SCHEMBL6014285

NC(=O)N(c1nc2cc3c(cc2cc1C(=O)O)OCO3)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTNNB1 P35222 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
DHODH Q02127 1/20 0.33
EDNRA P25101 1/20 0.32

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
SCHEMBL6014232 0.87 KDM4E (0.41) TRPM8NPC1RAB9AALDH1A1GAA
SCHEMBL6014291 0.85 LMNA (0.42) TRPM8NPC1RAB9AALDH1A1GAA
SCHEMBL6014284 0.85 LMNA (0.42) TRPM8NPC1RAB9AALDH1A1GAA
SCHEMBL6014315 0.83 LMNA (0.43) TRPM8NPC1RAB9AALDH1A1GAA
SCHEMBL6014276 0.79 LMNA (0.44) NPC1RAB9AALDH1A1GAAHPGD
Urea SCHEMBL6014279 0.77 L3MBTL1 (0.42) NPC1RAB9AALDH1A1GAAHPGD
SCHEMBL6014230 0.72 NPC1 (0.39) NPC1RAB9AALDH1A1GAAHPGD
SCHEMBL6014238 0.72 NPC1 (0.48) TRPM8NPC1RAB9AALDH1A1GAA
SCHEMBL6014278 0.70 KMT2A (0.39) NPC1RAB9AALDH1A1GAAHPGD
SCHEMBL6014289 0.70 TRPM8 (0.45) TRPM8NPC1RAB9AALDH1A1GAA

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