SCHEMBL6014252

SCHEMBL6014252

CCN(C(N)=O)C1CCCCC1.O=C(O)c1cnc2cc3c(cc2c1)OCO3

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.45
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITK Q08881 1/20 0.35
F2 P00734 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6014289 1.00 TRPM8 (0.45) TRPM8NPC1RAB9AMEN1KMT2A
SCHEMBL6014238 0.87 NPC1 (0.48) TRPM8NPC1RAB9AMEN1KMT2A
Urea SCHEMBL6016094 0.79 MGAM (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6014290 0.78 NPC1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5553780 0.78 MGAM (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
Hydrogen Sulfide SCHEMBL28775857 0.76 MGAM (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19020851 0.70 MGAM (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6014285 0.70 TRPM8 (0.39) TRPM8NPC1RAB9AMEN1KMT2A
SCHEMBL967449 0.69 L3MBTL1 (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27367583 0.68 L3MBTL1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1

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