SCHEMBL30170478

SCHEMBL30170478

CC(C)(C)[C@H](NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GFER P55789 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
OPRK1 P41145 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL38655692 0.85 GAA (0.51) KDM4EHTTALDH1A1GFERCNR1
SCHEMBL38655682 0.85 GAA (0.51) KDM4EHTTALDH1A1GFERCNR1
SCHEMBL38656647 0.85 GAA (0.51) KDM4EHTTALDH1A1GFERCNR1
SCHEMBL30170028 0.83 GAA (0.46) KDM4EHTTALDH1A1GFERCNR1
SCHEMBL26460421 0.83 ALDH1A1 (0.54) KDM4EHTTALDH1A1GFERLMNA
SCHEMBL8581974 0.80 KDM4E (0.55) KDM4EHTTALDH1A1GFERLMNA
SCHEMBL8581979 0.80 KDM4E (0.55) KDM4EHTTALDH1A1GFERLMNA
SCHEMBL8580257 0.80 KDM4C (0.66) KDM4EHTTALDH1A1GFERLMNA
SCHEMBL8580260 0.80 KDM4C (0.66) KDM4EHTTALDH1A1GFERLMNA
SCHEMBL30170152 0.79 LONP1 (0.59) KDM4EHTTALDH1A1CNR2LMNA

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
EP-4366831-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2024-05-15 EP disclosed
WO-2023283256-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-01-12 WO disclosed