SCHEMBL6462292

SCHEMBL6462292

NC(=O)CC(CC(O)(CCc1ccccc1)c1nc2ccccc2o1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.39
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
XDH P47989 2/20 0.38
MAPT P10636 5/20 0.34
LMNA P02545 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
GFER P55789 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6467443 0.86 FAAH (0.36) DAGLAFAAHCES1XDHMAPT
SCHEMBL6466340 0.83 LMNA (0.39) DAGLAFAAHCES1XDHMAPT
SCHEMBL6463655 0.83 LMNA (0.39) DAGLAFAAHCES1XDHMAPT
SCHEMBL6462568 0.78 METAP2 (0.37) DAGLAFAAHCES1XDHMAPT
Hydrochloric Acid SCHEMBL6466457 0.76 KMT2A (0.32) DAGLAFAAHCES1XDHNPC1
SCHEMBL6472489 0.74 FAAH (0.36) DAGLAFAAHCES1XDHMAPT
SCHEMBL7049306 0.73 DAGLA (0.44) DAGLAFAAHCES1XDHMAPT
Hydrochloric Acid SCHEMBL6465937 0.71 FAAH (0.35) DAGLAFAAHCES1XDHMAPT
SCHEMBL6464160 0.71 LMNA (0.39) DAGLAFAAHCES1MAPTLMNA
SCHEMBL6467037 0.71 FAAH (0.36) DAGLAFAAHCES1XDHMAPT

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed