SCHEMBL23401702

SCHEMBL23401702

CCn1[nH]c(CC(C)C)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
PARP1 P09874 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL23403670 0.87 DAO (0.43) DAOPARP1MEN1KMT2APOLB
SCHEMBL23400584 0.86 DAO (0.40) DAOPARP1MEN1KMT2AGAA
SCHEMBL23403689 0.83 MEN1 (0.50) DAOPARP1MEN1KMT2AGAA
SCHEMBL23401931 0.77 MEN1 (0.46) DAOPARP1MEN1KMT2AGAA
SCHEMBL23401067 0.76 DAO (0.43) DAOPARP1MEN1KMT2AGAA
SCHEMBL23399923 0.76 ALDH1A1 (0.35) DAOMEN1KMT2AGAAPOLB
SCHEMBL23399030 0.74 DAO (0.44) DAOMEN1KMT2A
SCHEMBL23403607 0.73 DAO (0.35) DAOMEN1KMT2AGAA
SCHEMBL23401318 0.73 DAO (0.41) DAOPARP1
SCHEMBL23401477 0.73 KDM4E (0.39) DAOMEN1KMT2AGAAPOLB

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed