SCHEMBL11065707

SCHEMBL11065707

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 2/20 0.37
MMP9 P14780 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36

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
SCHEMBL11069125 0.90 ADAMTS4 (0.38) ADAMTS4ALDH1A1TRPV3L3MBTL1KDM4E
SCHEMBL11478773 0.87 ADAMTS4 (0.39) ADAMTS4ALDH1A1TRPV3L3MBTL1KDM4E
SCHEMBL11072017 0.86 ADAMTS4 (0.38) ADAMTS4ALDH1A1TRPV3L3MBTL1KDM4E
SCHEMBL11070976 0.84 TRPV3 (0.38) ADAMTS4ALDH1A1TRPV3L3MBTL1KDM4E
SCHEMBL11066488 0.84 ALOX5 (0.38) ADAMTS4ALDH1A1MEN1RECQLKMT2A
SCHEMBL11072044 0.83 ADAMTS4 (0.36) ADAMTS4ALDH1A1TRPV3L3MBTL1KDM4E
SCHEMBL11062094 0.82 KCNH2 (0.38) ADAMTS4ALDH1A1TRPV3P2RX3
SCHEMBL11068569 0.82 ADAMTS4 (0.36) ADAMTS4TRPV3L3MBTL1KDM4EMEN1
SCHEMBL11068255 0.81 ADAMTS4 (0.37) ADAMTS4TRPV3L3MBTL1KDM4EMEN1
SCHEMBL11068260 0.81 ADAMTS4 (0.37) ADAMTS4TRPV3L3MBTL1KDM4EMEN1

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