SCHEMBL3946747

SCHEMBL3946747

CCCCCCCCCCCCCCCC(=O)Oc1cc(O)ccc1CCCCCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.67
CNR1 P21554 8/20 0.67
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
ALOX5 P09917 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
TYR P14679 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL3948637 0.93 CNR2 (0.60) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL3950873 0.91 CNR2 (0.57) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL3034727 0.90 CNR2 (0.57) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL27293376 0.86 CNR2 (0.55) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL3030328 0.85 CNR2 (0.55) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL7751114 0.83 KMT2A (0.54) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL7755680 0.83 KMT2A (0.54) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL7754630 0.83 KMT2A (0.54) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL7751086 0.83 KMT2A (0.54) CNR2CNR1MEN1KMT2AALOX15
SCHEMBL11674325 0.83 CNR2 (0.51) CNR2CNR1ALOX15CYP3A4HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO claimed
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO disclosed