SCHEMBL8265682

SCHEMBL8265682

Cc1cccc(-c2cccc(OCCO)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
F2 P00734 1/20 0.44
RAB9A P51151 1/20 0.44
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL12958255 0.92 DRD2 (0.48) DRD2DRD4L3MBTL1TDP1DRD3
SCHEMBL30335968 0.91 ALDH1A1 (0.57) ALDH1A1RECQLDRD2DRD4L3MBTL1
SCHEMBL516564 0.91 ALDH1A1 (0.57) ALDH1A1RECQLDRD2DRD4L3MBTL1
SCHEMBL3715239 0.89 ALDH1A1 (0.64) ALDH1A1RECQLFFAR4
SCHEMBL4323479 0.88 FFAR4 (0.57) ALDH1A1RECQLDRD2DRD4DRD3
SCHEMBL8264152 0.88 FFAR4 (0.50) ALDH1A1RECQLDRD2DRD4L3MBTL1
SCHEMBL4320104 0.83 ALDH1A1 (0.69) ALDH1A1RECQLFFAR4
SCHEMBL515982 0.81 DRD2 (0.58) DRD2DRD4L3MBTL1TDP1DRD3
SCHEMBL12225772 0.81 RXRA (0.57) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL18655582 0.81 TSHR (0.59) DRD2DRD4SMN1; SMN2

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed