SCHEMBL2444530

SCHEMBL2444530

CCOC(=O)OC1=NOC(Cc2ccc(Cl)cc2Cl)C1.CCOC(=O)Oc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 4/20 0.42
▸ FAAH O00519 1/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ CACNB4 O00305 3/20 0.39
▸ CACNA1A O00555 3/20 0.39
▸ CACNA1G O43497 3/20 0.39
▸ CACNG3 O60359 3/20 0.39
▸ CACNA1F O60840 3/20 0.39
▸ CACNA1H O95180 3/20 0.39
▸ CACNB3 P54284 3/20 0.39
▸ CACNA2D1 P54289 3/20 0.39
▸ CACNG7 P62955 3/20 0.39
▸ CACNA1B Q00975 3/20 0.39
▸ CACNA1D Q01668 3/20 0.39
▸ CACNB1 Q02641 3/20 0.39
▸ CACNG1 Q06432 3/20 0.39
▸ CACNB2 Q08289 3/20 0.39
▸ CACNA1S Q13698 3/20 0.39
▸ CACNA1C Q13936 3/20 0.39
▸ CACNA1E Q15878 3/20 0.39

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
SCHEMBL168434 0.83 CYP3A4 (0.42) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL168159 0.83 MARS1 (0.57) MARS1FAAHSMPD1GABRA2GABRB2
SCHEMBL4142817 0.81 FAAH (0.52) MARS1FAAHSMPD1GABRA2GABRB2
SCHEMBL6645241 0.73 SLC6A2 (0.38) MEN1KMT2A
SCHEMBL167398 0.72 SIGMAR1 (0.52) GABRA2GABRB2SMN1; SMN2ALDH1A1CNR2
SCHEMBL1110698 0.72 PPP1CA (0.50) FAAHGABRA2GABRB2SLC16A3SLC16A1
SCHEMBL6053365 0.71 MARS1 (0.66) MARS1SMPD1SLC16A3SLC16A1RPA1
SCHEMBL342100 0.70 MARS1 (0.68) MARS1FAAHSMPD1GABRA2GABRB2
SCHEMBL29419099 0.70 MARS1 (0.68) MARS1FAAHSMPD1GABRA2GABRB2
SCHEMBL168942 0.69 SLC5A1 (0.48) GABRA2GABRB2RPA1CNR2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 — — EP disclosed
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