SCHEMBL31411147

SCHEMBL31411147

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL8516112 0.84 GSK3B (0.54) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL28844961 0.84 GSK3B (0.58) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL27475290 0.81 GSK3B (0.50) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL31411149 0.81 GSK3B (0.50) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL8227515 0.77 GSK3B (0.49) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL27762981 0.76 GSK3B (0.56) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL18681489 0.73 GSK3B (0.66) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL7484843 0.72 GSK3B (0.50) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL7534303 0.71 GSK3B (0.53) GSK3BCES2CES1L3MBTL1LMNA
SCHEMBL24808789 0.71 GSK3B (0.61) GSK3BCES2CES1L3MBTL1LMNA

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
CN-119214147-A Polypeptide-based cryopreservation protective agent and preparation method and application thereof 天津大学 2024-12-31 CN disclosed