SCHEMBL10992173

SCHEMBL10992173

O=C(CO)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.51
BCAT1 P54687 6/20 0.51
STS P08842 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR2B P41595 1/20 0.47
AHR P35869 1/20 0.44
IDO1 P14902 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL30765908 0.85 TTR (0.54) TTRNPC1RAB9ALMNABCAT1
SCHEMBL11352725 0.85 TTR (0.54) TTRNPC1RAB9ALMNABCAT1
SCHEMBL16581127 0.85 TTR (0.54) TTRNPC1RAB9ALMNABCAT1
SCHEMBL3875921 0.85 TTR (0.54) TTRNPC1RAB9ALMNABCAT1
SCHEMBL1222307 0.82 TTR (0.78) TTRNPC1RAB9ALMNABCAT1
Furobufen SCHEMBL43450 0.82 CYP1A2 (0.58) TTRNPC1RAB9ALMNABCAT1
SCHEMBL11599094 0.82 NPC1 (0.57) TTRNPC1RAB9ALMNABCAT1
SCHEMBL8912973 0.82 TTR (0.51) TTRNPC1RAB9ALMNABCAT1
Furobufen SCHEMBL30901203 0.82 CYP1A2 (0.58) TTRNPC1RAB9ALMNABCAT1
SCHEMBL23626600 0.81 TTR (0.50) TTRNPC1RAB9ALMNABCAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536517-A ANTIDIABETIC, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed