SCHEMBL31455397

SCHEMBL31455397

C=C1CC(C)(C)C(C(=O)OC)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL31455239 0.81 GAA (0.41) GAAMAPTNPSR1HTTTSHR
SCHEMBL812670 0.76 ATM (0.36) GAAMAPTNPSR1HTTTSHR
SCHEMBL9873481 0.67 POLB (0.42) MAPTHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9127405 0.67 POLB (0.42) MAPTHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9957179 0.67
SCHEMBL7305696 0.67 BRD4 (0.38) TSHRALDH1A1CYP1A2MMP2ANPEP
SCHEMBL7305695 0.67 BRD4 (0.38) TSHRALDH1A1CYP1A2MMP2ANPEP
SCHEMBL7305703 0.67 BRD4 (0.38) TSHRALDH1A1CYP1A2MMP2ANPEP
SCHEMBL11807904 0.67 ALDH1A1 (0.38) GAAMAPTNPSR1HTTTSHR
SCHEMBL5706652 0.66 HTT (0.41) HTTTSHRKMT2AALDH1A1CYP1A2

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