SCHEMBL31455461

SCHEMBL31455461

COC(=O)C1CCC(CO)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
GAA P10253 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL31455229 0.85 GAA (0.36) TP53CHRNB2CHRNA4GAACHRNB4
SCHEMBL16388406 0.77 BRD4 (0.37) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10246802 0.73 CHRNB2 (0.35) TP53CHRNB2CHRNA4GAACHRNB4
SCHEMBL19226071 0.71 ATM (0.36) L3MBTL1
SCHEMBL19226275 0.71 ATM (0.36) L3MBTL1
SCHEMBL408809 0.70 TP53 (0.44) TP53CHRNB2CHRNA4GAACHRNB4
SCHEMBL351398 0.70 TP53 (0.44) TP53CHRNB2CHRNA4GAACHRNB4
SCHEMBL351399 0.70 TP53 (0.44) TP53CHRNB2CHRNA4GAACHRNB4
SCHEMBL244740 0.70
SCHEMBL2948892 0.70 TP53 (0.56) TP53CHRNB2CHRNA4GAACHRNB4

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