SCHEMBL23403154

SCHEMBL23403154

CCc1[nH]n(CC(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP4 P27487 11/20 0.43
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAT2A P31153 1/20 0.36
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL23400400 0.89 ALDH1A1 (0.43) KDM4ESMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400964 0.88 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23401732 0.87 ALDH1A1 (0.39) KDM4ESMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400945 0.86 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23402393 0.82 GAA (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23401964 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1POLBMAPT
SCHEMBL23400258 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1POLBMAPT
SCHEMBL23400446 0.82 KDM4E (0.49) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL23398830 0.79 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23398653 0.79 KDM4E (0.49) KDM4EMEN1MAPTHPGDHTT

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