SCHEMBL23403038

SCHEMBL23403038

Cc1[nH]n(C)c(=O)c1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 6/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LIPE Q05469 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NOX4 Q9NPH5 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
SCHEMBL23398530 0.80 KDM5A (0.31) KDM5ADAOTSHR
SCHEMBL23403134 0.78 KDM5A (0.31) KDM5ADAO
SCHEMBL23400823 0.78 KDM5A (0.33) KDM5A
SCHEMBL23402954 0.78 HTT (0.35) KDM5ADAO
SCHEMBL23403674 0.77 SMN1; SMN2 (0.36) MAPTKDM5ATDP1L3MBTL1TSHR
SCHEMBL23403052 0.77 KDM5A (0.30) KDM5A
SCHEMBL23401416 0.77 ALDH1A1 (0.37) HPDMAPTKDM5AMAPK1TDP1
SCHEMBL23398561 0.76 GAA (0.40) MAPTKDM5ASMN1; SMN2
SCHEMBL23401040 0.76 PDE2A (0.30) —
SCHEMBL23403025 0.73 KDM4E (0.42) HPDSMN1; SMN2

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
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