SCHEMBL31455588

SCHEMBL31455588

CC1(C)CC(=O)CC(C)(C)C1CO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10601665 0.71 UGT2B7 (0.31)
SCHEMBL23127049 0.67
SCHEMBL31455072 0.67 APLNR (0.36) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL11804151 0.67 ALDH1A1 (0.31) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL31455239 0.64 GAA (0.41) MAPTKDM4EALDH1A1TSHR
SCHEMBL17995252 0.63 MAPT (0.30) MAPT
SCHEMBL25335761 0.63
SCHEMBL27982160 0.63
SCHEMBL23086228 0.63
SCHEMBL11812306 0.62 MAPT (0.34) MAPTKDM4EALDH1A1POLBTSHR

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