SCHEMBL23400400

SCHEMBL23400400

CCCc1[nH]n(CC(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
DPP4 P27487 7/20 0.41
KDM5B Q9UGL1 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
DCTPP1 Q9H773 1/20 0.38
CYBB P04839 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL23400945 0.92 KDM4E (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23403154 0.89 KDM4E (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23400964 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23398888 0.84 KDM4E (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23400105 0.82 MEN1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL23399874 0.80 KDM4E (0.40) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23401964 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23402393 0.80 GAA (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23400258 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23403390 0.78 KDM4E (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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