SCHEMBL11072017

SCHEMBL11072017

CC(C)C(NC=O)C(=O)OCc1cccc(Oc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP9 P14780 1/20 0.36
P2RX3 P56373 4/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL11069086 0.90 SCN9A (0.40) ADAMTS4L3MBTL1MEN1KMT2AP2RX3
SCHEMBL11065707 0.86 ADAMTS4 (0.39) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11478773 0.85 ADAMTS4 (0.39) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11069125 0.83 ADAMTS4 (0.38) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11070976 0.83 TRPV3 (0.38) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11068569 0.82 ADAMTS4 (0.36) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11068260 0.81 ADAMTS4 (0.37) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11068255 0.81 ADAMTS4 (0.37) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11072044 0.81 ADAMTS4 (0.36) ADAMTS4L3MBTL1TRPV3KDM4EMEN1
SCHEMBL11062094 0.80 KCNH2 (0.38) ADAMTS4TRPV3P2RX3ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 US disclosed