SCHEMBL31455239

SCHEMBL31455239

COC(=O)C1C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 2/20 0.37
ALOX12 P18054 1/20 0.36
BRD4 O60885 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31455397 0.81 GAA (0.37) GAAMAPTNPSR1TSHRKMT2A
SCHEMBL31455072 0.77 APLNR (0.36) MAPTTSHRKMT2AALDH1A1HTT
SCHEMBL11804151 0.77 ALDH1A1 (0.31) MAPTTSHRALDH1A1KDM4E
SCHEMBL9851192 0.75 GAA (0.47) GAAMAPTNPSR1TSHRALDH1A1
SCHEMBL2013946 0.75 ATM (0.37) GAAMAPTNPSR1TSHRKMT2A
SCHEMBL2505350 0.75 ATM (0.37) GAAMAPTNPSR1TSHRKMT2A
SCHEMBL9851194 0.74 GAA (0.46) GAAMAPTNPSR1TSHRALDH1A1
SCHEMBL2014678 0.72 THRB (0.41) GAAMAPTNPSR1TSHRKMT2A
SCHEMBL11807904 0.72 ALDH1A1 (0.38) GAAMAPTNPSR1TSHRKMT2A
SCHEMBL25541264 0.71 ATM (0.37) GAAMAPTNPSR1TSHRKMT2A

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed