SCHEMBL31455441

SCHEMBL31455441

COC(=O)C1CC2CC(C=O)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
TP53 P04637 1/20 0.38
BRD4 O60885 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL13739914 0.90 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13739611 0.90 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13740486 0.90 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2220032 0.83 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16300319 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24035531 0.75 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15005440 0.75 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL108455 0.75 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL142778 0.75 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25635447 0.75 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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