SCHEMBL31455454

SCHEMBL31455454

CO/C=C1\CCC(C(=O)OC)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL2013946 0.77 ATM (0.37) ATML3MBTL1GAAMAPTNPSR1
SCHEMBL2505350 0.77 ATM (0.37) ATML3MBTL1GAAMAPTNPSR1
SCHEMBL812670 0.76 ATM (0.36) ATML3MBTL1GAAMAPTNPSR1
SCHEMBL1512608 0.73 TP53 (0.41) GAAMAPTALDH1A1
SCHEMBL2014678 0.71 THRB (0.41) ATML3MBTL1GAAMAPTNPSR1
SCHEMBL2171990 0.71 LMNA (0.34) LMNA
SCHEMBL18211321 0.68 ATM (0.46) ATML3MBTL1CYP1A2TSHRCYP2C9
SCHEMBL14810191 0.65 BRD4 (0.43)
SCHEMBL11708816 0.65 ATM (0.41) ATML3MBTL1CYP1A2TSHRHTT
SCHEMBL14375557 0.65 ATM (0.41) ATML3MBTL1CYP1A2TSHRHTT

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