SCHEMBL11138199

SCHEMBL11138199

O=C(O)CCCCCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 11/20 0.55
▸ IDO1 P14902 2/20 0.54
▸ CDYL2 Q8N8U2 1/20 0.48
▸ CDYL Q9Y232 1/20 0.48
▸ CDY1; CDY1B Q9Y6F8 1/20 0.48
▸ ASAH1 Q13510 1/20 0.47
▸ APEX1 P27695 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL11135151 0.99 KMO (0.56) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11138216 0.89 IDO1 (0.54) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11135042 0.86 IDO1 (0.51) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL5423077 0.82 IDO1 (0.62) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11133037 0.81 KMO (0.79) KMOIDO1
SCHEMBL2061822 0.81 IDO1 (0.64) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11134988 0.80 KMO (0.81) KMOIDO1
SCHEMBL11239672 0.80 KMO (0.57) KMOAPEX1ALDH1A1NPSR1
SCHEMBL11137490 0.78 ALDH1A1 (0.75) ALDH1A1NPSR1
SCHEMBL11135285 0.78 ALDH1A1 (0.75) ALDH1A1NPSR1

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-4377695-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT AGENTS A. NATTERMANN & CIE GMBH (DE) 1983-03-22 — — US disclosed
EP-0051827-A1 Omega-(2-oxo-benzimidazolinyl)-alkanoic acid derivatives, process for producing the same and pharmaceutical compounds containing the same A. Nattermann & Cie. GmbH (DE) 1982-05-19 — — EP disclosed
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