SCHEMBL3887315

SCHEMBL3887315

CCOC1(c2ccccc2)OC(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
NPSR1 Q6W5P4 9/20 0.74
CYP2C9 P11712 5/20 0.74
CYP2C19 P33261 5/20 0.74
L3MBTL1 Q9Y468 3/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
RECQL P46063 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
ATM Q13315 1/20 0.64
GAA P10253 2/20 0.63
MAPT P10636 3/20 0.63
CYP3A4 P08684 5/20 0.59
CYP1A2 P05177 2/20 0.59
HTT P42858 1/20 0.59
CFTR P13569 1/20 0.51
GOPC Q9HD26 1/20 0.51
LMNA P02545 3/20 0.43
HSP90AA1 P07900 2/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL10745566 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL1550971 0.77 NPSR1 (0.76) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL11753756 0.77 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL9506732 0.77 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL336932 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL17525320 0.72 CFTR (0.66) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL9767700 0.72 NPSR1 (0.57) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL11752714 0.71 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL10744421 0.70 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL11779904 0.70 CFTR (0.71) SMN1; SMN2NPSR1CYP2C9CYP2C19L3MBTL1

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-2014735-A2 POLYMER ANISOTROPIC ELECTROCONDUCTIVE GLUING MATERIAL AND A GLUING METHOD Koltsova, Anastasia Adrianovna (RU) 2009-01-14 EP disclosed