SCHEMBL11070976

SCHEMBL11070976

C#CCNC(C(=O)OCc1cccc(Oc2ccccc2)n1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 3/20 0.37
ADAMTS4 O75173 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ACHE P22303 1/20 0.35
P2RX3 P56373 4/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
RAB9A P51151 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
SCHEMBL11065707 0.84 ADAMTS4 (0.39) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11478773 0.84 ADAMTS4 (0.39) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11072044 0.83 ADAMTS4 (0.36) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11072017 0.83 ADAMTS4 (0.38) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11068569 0.82 ADAMTS4 (0.36) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11062912 0.82 ADAMTS4 (0.35) L3MBTL1ADAMTS4ACHEMMP9SMN1; SMN2
SCHEMBL11069125 0.82 ADAMTS4 (0.38) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11068255 0.82 ADAMTS4 (0.37) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11068260 0.82 ADAMTS4 (0.37) TRPV3L3MBTL1POLBADAMTS4KDM4E
SCHEMBL11064779 0.81 EPOR (0.34) TRPV3POLBADAMTS4MEN1KMT2A

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