SCHEMBL31479820

SCHEMBL31479820

CC(C)(C)OC(=O)N1C(c2cccc(F)c2)CC[C@@]1(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
PDE5A O76074 1/20 0.42
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
NR1H2 P55055 3/20 0.38
RXRA P19793 2/20 0.38
NR1H3 Q13133 2/20 0.38
GPR119 Q8TDV5 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRK1 P41145 1/20 0.37
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL5152764 0.87 GPR119 (0.44) RIPK1NR1H2RXRANR1H3GPR119
SCHEMBL483409 0.81 KCNH2 (0.46) MAOB
SCHEMBL29388249 0.81 GPR119 (0.38) PDE5AGPR119
SCHEMBL28515805 0.80 CALCRL (0.47) RIPK1PDE5AGPR119PSEN1PSEN2
SCHEMBL28529951 0.79 RIPK1 (0.44) RIPK1PDE5AMAOBGPR119PSEN1
SCHEMBL28285321 0.78 GPR119 (0.43) RIPK1NR1H2RXRANR1H3GPR119
SCHEMBL20835546 0.77 RIPK1 (0.42) RIPK1PDE5AGPR119PSEN1PSEN2
SCHEMBL28515213 0.77 PKM (0.41) RIPK1PDE5AMAOBMAOANR1H2
SCHEMBL31479247 0.76 RIPK1 (0.50) RIPK1PDE5AMAOBMAOAGPR119
SCHEMBL21093668 0.76 RIPK1 (0.50) RIPK1PDE5AMAOBMAOAGPR119

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
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed