SCHEMBL4710987

SCHEMBL4710987

COc1cc(/C=C/c2cccc(C)n2)ccc1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.59
NFKB1 P19838 1/20 0.59
APP P05067 7/20 0.55
VCP P55072 1/20 0.54
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL4710988 1.00 JUN (0.59) JUNNFKB1APPVCPNPC1
SCHEMBL4710991 0.87 APP (0.62) NFKB1APPNPC1RAB9AMAPT
SCHEMBL4710990 0.87 APP (0.62) NFKB1APPNPC1RAB9AMAPT
SCHEMBL12280667 0.85 KMT2A (0.66) JUNNFKB1VCPNPC1RAB9A
SCHEMBL3674227 0.83 JUN (0.82) JUNNFKB1VCPNPC1RAB9A
SCHEMBL3674230 0.83 JUN (0.82) JUNNFKB1VCPNPC1RAB9A
SCHEMBL4712500 0.81 MAPT (0.48) NFKB1VCPNPC1RAB9AMAPT
SCHEMBL4712501 0.81 MAPT (0.48) NFKB1VCPNPC1RAB9AMAPT
SCHEMBL18270549 0.81 JUN (0.79) JUNNFKB1VCPKMT2AMEN1
SCHEMBL4711155 0.81 APP (0.84) NFKB1APPNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed