SCHEMBL11068255

SCHEMBL11068255

C/C(Cl)=C/CNC(C(=O)OCc1cccc(Oc2ccccc2)n1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.37
TRPV3 Q8NET8 1/20 0.35
P2RX3 P56373 4/20 0.34
MMP9 P14780 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP13 P45452 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL11068260 1.00 ADAMTS4 (0.37) ADAMTS4TRPV3P2RX3MMP9L3MBTL1
SCHEMBL11068569 0.93 ADAMTS4 (0.36) ADAMTS4TRPV3P2RX3MMP9L3MBTL1
SCHEMBL11072044 0.84 ADAMTS4 (0.36) ADAMTS4TRPV3P2RX3MMP9L3MBTL1
SCHEMBL11070134 0.83 ADAMTS4 (0.35) ADAMTS4MMP9L3MBTL1MMP13SMN1; SMN2
SCHEMBL11070130 0.83 ADAMTS4 (0.35) ADAMTS4MMP9L3MBTL1MMP13SMN1; SMN2
SCHEMBL11069822 0.82 PDE5A (0.36) ADAMTS4L3MBTL1KDM4EMEN1POLB
SCHEMBL11069825 0.82 PDE5A (0.36) ADAMTS4L3MBTL1KDM4EMEN1POLB
SCHEMBL11070976 0.82 TRPV3 (0.38) ADAMTS4TRPV3P2RX3MMP9L3MBTL1
SCHEMBL11072017 0.81 ADAMTS4 (0.38) ADAMTS4TRPV3P2RX3MMP9L3MBTL1
SCHEMBL11065707 0.81 ADAMTS4 (0.39) ADAMTS4TRPV3P2RX3MMP9L3MBTL1

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