SCHEMBL14494257

SCHEMBL14494257

COC(=O)C(CO)NC(=O)C(C)(C)C(C)(C)NC(=O)n1nnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.43
▸ MGAM O43451 5/20 0.40
▸ AMY1A P0DUB6 5/20 0.40
▸ GAA P10253 5/20 0.40
▸ SI P14410 5/20 0.40
▸ MGAM2 Q2M2H8 5/20 0.40
▸ F12 P00748 4/20 0.40
▸ MIF P14174 1/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ F2 P00734 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SLC9A1 P19634 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 2/20 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
SCHEMBL8218121 0.80 ASAH1 (0.50) ASAH1MGAMAMY1AGAASI
SCHEMBL14470769 0.77 ALDH1A1 (0.44) ASAH1MGAMAMY1AGAASI
SCHEMBL20664729 0.73 ASAH1 (0.56) ASAH1MGAMAMY1AGAASI
SCHEMBL21183226 0.71 ASAH1 (0.51) ASAH1MGAMAMY1AGAASI
SCHEMBL20156704 0.69 ASAH1 (0.51) ASAH1MGAMAMY1AGAASI
SCHEMBL22101596 0.68 ASAH1 (0.56) ASAH1MGAMAMY1AGAASI
SCHEMBL29008120 0.67 ASAH1 (0.52) ASAH1MGAMAMY1AGAASI
SCHEMBL17875212 0.66 ASAH1 (0.59) ASAH1MGAMAMY1AGAASI
SCHEMBL459733 0.66 GAA (0.60) ASAH1MGAMAMY1AGAASI
SCHEMBL27349791 0.66 POLB (0.50) MGAMAMY1AGAASIMGAM2

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
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
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