SCHEMBL31455369

SCHEMBL31455369

COC(=O)C1C(C)(C)CC(CO)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
PTPN1 P18031 1/20 0.34
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL31455496 0.72 GAA (0.33) HTTKMT2AGAAMAPTNPSR1
SCHEMBL8531001 0.71 APLNR (0.39) APLNRPTPN1MAPTNPSR1ALDH1A1
SCHEMBL16137372 0.70 EPHX2 (0.40)
SCHEMBL294509 0.69
SCHEMBL13738558 0.68 CHRNB2 (0.50) SMN1; SMN2GAAALDH1A1
SCHEMBL28776896 0.68 APLNR (0.37) APLNRPTPN1MAPTNPSR1
SCHEMBL21946031 0.68 APLNR (0.37) APLNRPTPN1MAPTNPSR1
SCHEMBL19284416 0.67
SCHEMBL19284415 0.67
SCHEMBL31455461 0.67 TP53 (0.34) SMN1; SMN2GAAMAPTALDH1A1

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