SCHEMBL23402140

SCHEMBL23402140

CCCn1[nH]c(CC(C)C)c(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.36
DPP4 P27487 2/20 0.36
ADORA2B P29275 4/20 0.35
ADORA2A P29274 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL23399440 0.92 MEN1 (0.49) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL23398830 0.89 KDM4E (0.39) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL23400964 0.86 SMN1; SMN2 (0.45) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL23400446 0.85 KDM4E (0.49) KDM4EGAAALDH1A1HSD17B10CYP2C9
SCHEMBL23398888 0.84 KDM4E (0.44) KDM4EGAAALDH1A1HSD17B10CYP2C9
SCHEMBL23401259 0.82 GAA (0.40) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL23402973 0.82 KDM4E (0.54) KDM4EGAAALDH1A1HSD17B10CYP2C9
SCHEMBL23400224 0.81 KDM4E (0.43) KDM4EGAAALDH1A1HSD17B10CYP2C9
SCHEMBL23399709 0.78 GAA (0.39) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL23398804 0.78 GAA (0.55) KDM4EGAAALDH1A1HSD17B10CYP2C9

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