SCHEMBL11064779

SCHEMBL11064779

C#CCN(CC#C)C(C(=O)OCc1cccc(Oc2ccccc2)n1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
P2RX3 P56373 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
GLA P06280 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADAMTS4 O75173 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL11071446 0.85 ALDH1A1 (0.38) EPORTRPV3P2RX3ACHEMEN1
SCHEMBL11066972 0.84 ALDH1A1 (0.36) EPORTRPV3P2RX3ACHEMEN1
SCHEMBL11070976 0.81 TRPV3 (0.38) TRPV3P2RX3ACHEMEN1ALDH1A1
SCHEMBL11062094 0.78 KCNH2 (0.38) TRPV3P2RX3ALDH1A1KCNH2PTGS1
SCHEMBL11065707 0.76 ADAMTS4 (0.39) TRPV3P2RX3MEN1ALDH1A1KMT2A
SCHEMBL11275809 0.75 ALDH1A1 (0.47) ALDH1A1KCNH2
SCHEMBL11478773 0.75 ADAMTS4 (0.39) TRPV3P2RX3MEN1ALDH1A1KMT2A
SCHEMBL11460618 0.74 ALOX5 (0.40) PTGS1SLC6A2LMNA
SCHEMBL11072017 0.74 ADAMTS4 (0.38) TRPV3P2RX3MEN1ALDH1A1KMT2A
SCHEMBL11069125 0.73 ADAMTS4 (0.38) TRPV3P2RX3MEN1ALDH1A1KMT2A

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 2 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-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