SCHEMBL23399151

SCHEMBL23399151

CC(C)Cn1[nH]c(C(C)C)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
DAO P14920 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
DHFR P00374 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL23403607 0.82 DAO (0.35) ALDH1A1DAOMEN1KMT2AKDM5B
SCHEMBL23399854 0.79 MEN1 (0.41) ALDH1A1DAOMEN1KMT2AMAPT
SCHEMBL23402299 0.78 L3MBTL1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL23399923 0.77 ALDH1A1 (0.35) ALDH1A1DAOMEN1KMT2ASMN1; SMN2
SCHEMBL23403670 0.77 DAO (0.43) ALDH1A1DAOMEN1KMT2ASMN1; SMN2
SCHEMBL23399554 0.77 MEN1 (0.53) ALDH1A1DAOMEN1KMT2ATSHR
SCHEMBL23402512 0.74 ALDH1A1 (0.44) ALDH1A1DAOMEN1KMT2ASMN1; SMN2
SCHEMBL23401477 0.74 KDM4E (0.39) ALDH1A1DAOMEN1KMT2ASMN1; SMN2
SCHEMBL4800174 0.73 DAO (0.40) ALDH1A1DAOMEN1KMT2AMAPT
SCHEMBL23399391 0.71 DAO (0.39) ALDH1A1DAOMEN1KMT2AHPGD

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