SCHEMBL8333370

SCHEMBL8333370

[CH2]CNC(=O)c1ccn(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.47
BRD4 O60885 3/20 0.43
SGMS2 Q8NHU3 2/20 0.42
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL6858810 0.87 LIPG (0.47) LIPGBRD4SGMS2HPGDMAPT
SCHEMBL13339884 0.86 SPHK2 (0.48) LIPGBRD4SGMS2HPGDLMNA
SCHEMBL6864646 0.85 LIPG (0.45) LIPGBRD4SGMS2HPGDMAPT
SCHEMBL8335413 0.84 BRD4 (0.48) LIPGBRD4SGMS2HPGDMAPT
SCHEMBL16789591 0.84 GLRA1 (0.47) LIPGHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL2240565 0.83 HPGD (0.44) LIPGHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL8892680 0.83 APP (0.45) LIPGHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL8333545 0.82 LIPG (0.43) LIPGBRD4SGMS2HPGDLMNA
SCHEMBL19709882 0.82 MAOB (0.48) LIPGBRD4HPGDLMNAMAPT
SCHEMBL13339929 0.81 LIPG (0.41) LIPGBRD4SGMS2HPGDMAPT

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-5892029-A HIGHLY EFFECTIVE UPON BOTH INJECTION AND ORAL ADMINISTRATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-04-06 US disclosed