SCHEMBL6598671

SCHEMBL6598671

CCOC(=O)C(Cc1ccccc1)NC(=O)Nc1cccc(-n2nc(OC)oc2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.52
FAAH O00519 2/20 0.52
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TP53 P04637 2/20 0.46
BCHE P06276 1/20 0.46
LIPC P11150 1/20 0.46
ACHE P22303 1/20 0.46
LIPE Q05469 1/20 0.46
FPR2 P25090 2/20 0.45
ABHD16A O95870 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ELANE P08246 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20335107 0.76 TP53 (0.67) CA12CA1CA2CA9TP53
SCHEMBL20335110 0.76 TP53 (0.67) CA12CA1CA2CA9TP53
SCHEMBL26606001 0.76 CA12 (0.61) CA12CA1CA2CA9FPR2
SCHEMBL26606003 0.76 CA12 (0.61) CA12CA1CA2CA9FPR2
SCHEMBL7657538 0.75 MGLL (0.59) MGLLFAAHBCHELIPCACHE
Trifluoroacetic Acid SCHEMBL6602639 0.71 MGLL (0.52) MGLLFAAHBCHELIPCACHE
SCHEMBL20335068 0.71 CA12 (0.71) CA12CA1CA2CA9TP53
SCHEMBL20335066 0.71 CA12 (0.71) CA12CA1CA2CA9TP53
SCHEMBL4900935 0.70 ALDH1A1 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL12149993 0.70 POLB (0.63) TP53ALDH1A1ELANEPOLB

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-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed