SCHEMBL31455263

SCHEMBL31455263

CCOC(=O)C1(C)CCC(CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.37
BRD4 O60885 1/20 0.36
OPRM1 P35372 3/20 0.36
POLB P06746 3/20 0.33
F10 P00742 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL31455098 0.84 PRMT1 (0.36) PRMT1BRD4OPRM1POLBF10
SCHEMBL14890913 0.83 FFAR4 (0.40) PRMT1BRD4OPRM1F10SMN1; SMN2
SCHEMBL14890914 0.83 FFAR4 (0.40) PRMT1BRD4OPRM1F10SMN1; SMN2
SCHEMBL2289941 0.82
SCHEMBL1908605 0.81 KDM4E (0.40) PRMT1BRD4OPRM1POLBF10
SCHEMBL663885 0.81 BRD4 (0.38) PRMT1BRD4OPRM1POLBF10
SCHEMBL16699477 0.81 BRD4 (0.38) BRD4OPRM1POLBKDM4EMEN1
SCHEMBL18082673 0.81 KDM4E (0.40) PRMT1BRD4OPRM1POLBF10
SCHEMBL12549788 0.81 BRD4 (0.38) PRMT1BRD4OPRM1POLBF10
SCHEMBL9044471 0.81 CYP4F2 (0.35)

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