SCHEMBL15836588

SCHEMBL15836588

O=C1C2[C@@H](C(=O)N1c1ccccc1)C1CC[C@H]2O1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
GAA P10253 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MAOA P21397 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10038047 1.00 MEN1 (0.65) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL3495788 1.00 MEN1 (0.65) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL13046377 0.89 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL3183615 0.82 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL3183605 0.82 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL3493956 0.82 ALOX15 (0.56) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL3493827 0.82 HSD17B10 (0.56) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL13955065 0.81 SMN1; SMN2 (0.51) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL3180518 0.80 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1POLBATM
SCHEMBL13480835 0.80 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1POLBATM

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
WO-2014096732-A1 METAL NANO-CATALYSTS IN GLYCEROL AND APPLICATIONS IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-06-26 WO disclosed