SCHEMBL23399003

SCHEMBL23399003

CCc1c(CC(C)C)[nH]n(-c2ccc(C)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 5/20 0.39
ALDH1A1 P00352 7/20 0.37
GAA P10253 6/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MT-CO1 P00395 1/20 0.36
MT-CO2 P00403 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KAT8 Q9H7Z6 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
RGS4 P49798 1/20 0.34
RGS8 P57771 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
SCHEMBL23401775 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23399885 0.89 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23403133 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23400026 0.87 MT-CO1 (0.47) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23402829 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23400095 0.84 MAPT (0.44) SMN1; SMN2MAPTALDH1A1GAAMT-CO1
SCHEMBL23398814 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23402650 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23398599 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23399289 0.81 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALDH1A1GAACYP1A2

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