SCHEMBL11068569

SCHEMBL11068569

CC(C)C(NCC=C(Cl)Cl)C(=O)OCc1cccc(Oc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
P2RX3 P56373 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 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
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
PDE5A O76074 2/20 0.33
PDE1A P54750 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 0.93 ADAMTS4 (0.37) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11068255 0.93 ADAMTS4 (0.37) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11072044 0.85 ADAMTS4 (0.36) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11284538 0.83 P2RX3 (0.35) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11070976 0.82 TRPV3 (0.38) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11072017 0.82 ADAMTS4 (0.38) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11065707 0.82 ADAMTS4 (0.39) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11478773 0.81 ADAMTS4 (0.39) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11069125 0.79 ADAMTS4 (0.38) ADAMTS4TRPV3P2RX3L3MBTL1TDP1
SCHEMBL11279541 0.78 P2RX3 (0.34) ADAMTS4TRPV3P2RX3L3MBTL1TDP1

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