SCHEMBL31455229

SCHEMBL31455229

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
BRD4 O60885 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
SCHEMBL31455461 0.85 TP53 (0.34) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL16388406 0.75 BRD4 (0.37) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10246802 0.72 CHRNB2 (0.35) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL15251997 0.71 TP53 (0.43) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL15256234 0.71 TP53 (0.43) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.69
SCHEMBL2948892 0.69 TP53 (0.56) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL2200767 0.69 TP53 (0.56) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL74396 0.69 TP53 (0.56) GAATP53CHRNB2CHRNA4CHRNB4
SCHEMBL18527512 0.68 CHRNB2 (0.40) GAATP53CHRNB2CHRNA4CHRNB4

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