SCHEMBL21994378

SCHEMBL21994378

CC(C)(C)OC(=O)CC(CC12CC(C1)C2)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL4831111 0.77 CYP2D6 (0.37) MEN1KMT2A
SCHEMBL30457629 0.71 MEN1 (0.38) EPHX2MEN1MAPK1KMT2A
SCHEMBL134689 0.68 ALDH1A1 (0.50) EPHX2MEN1MAPK1KMT2A
Acetic Acid SCHEMBL703302 0.68 ALDH1A1 (0.46) EPHX2MEN1MAPK1KMT2A
SCHEMBL21994780 0.68 MEN1 (0.36) EPHX2MEN1MAPK1KMT2A
SCHEMBL7737714 0.67 EPHX2 (0.40) EPHX2MEN1MAPK1KMT2A
SCHEMBL133579 0.66 ALDH1A1 (0.54) EPHX2MEN1KMT2A
SCHEMBL6761013 0.66 CYP2D6 (0.37) MEN1KMT2A
SCHEMBL9249667 0.64 ALDH1A1 (0.48) MEN1KMT2A
SCHEMBL27485689 0.64 TSHR (0.36) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 WO disclosed