SCHEMBL10365955

SCHEMBL10365955

CC(C)C(Cl)OC(=O)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 11/20 0.49
▸ MGAM O43451 10/20 0.49
▸ AMY1A P0DUB6 10/20 0.49
▸ SI P14410 10/20 0.49
▸ MGAM2 Q2M2H8 10/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ F2 P00734 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SLC9A1 P19634 1/20 0.49
▸ F12 P00748 6/20 0.48
▸ MIF P14174 1/20 0.48
▸ DGAT1 O75907 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KCNMA1 Q12791 1/20 0.46

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
SCHEMBL14639695 0.85 GAA (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL10623817 0.82 GAA (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL459733 0.77 GAA (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.75 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL2115731 0.75 GAA (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL4598277 0.75 ASAH1 (0.51) GAAMGAMAMY1ASIMGAM2
SCHEMBL3462346 0.74 MGAM (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL15761538 0.74 FAAH (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL1971916 0.74 GAA (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL427058 0.72 GAA (0.64) GAAMGAMAMY1ASIMGAM2

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
EP-0104984-B1 VINYLCARBAMIC ACID ESTERS AND THEIR PREPARATION SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-05-16 — — EP disclosed
US-4772695-A DEHYDROHALOGENATION, INSECTICIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1988-09-20 — — US disclosed
EP-0104984-A2 Vinylcarbamic acid esters and their preparation SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1984-04-04 — — EP disclosed
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