SCHEMBL23401775

SCHEMBL23401775

CCCc1c(CC(C)C)[nH]n(-c2ccc(C)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
KAT8 Q9H7Z6 1/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL23403133 0.93 SMN1; SMN2 (0.46) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23402650 0.89 SMN1; SMN2 (0.47) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23399003 0.89 SMN1; SMN2 (0.46) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23400923 0.88 GAA (0.48) GAACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL23402552 0.87 SMN1; SMN2 (0.52) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23402236 0.86 SMN1; SMN2 (0.51) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23403461 0.85 MAPT (0.42) SMN1; SMN2GAAMAPTKDM4EMEN1
SCHEMBL23401172 0.84 SMN1; SMN2 (0.45) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23399885 0.83 SMN1; SMN2 (0.46) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19
SCHEMBL23401648 0.83 SMN1; SMN2 (0.49) SMN1; SMN2GAACYP1A2CYP3A4CYP2C19

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