SCHEMBL11135151

SCHEMBL11135151

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 11/20 0.56
▸ IDO1 P14902 2/20 0.55
▸ CDYL2 Q8N8U2 1/20 0.49
▸ CDYL Q9Y232 1/20 0.49
▸ CDY1; CDY1B Q9Y6F8 1/20 0.49
▸ ASAH1 Q13510 1/20 0.48
▸ APEX1 P27695 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 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
SCHEMBL11138199 0.99 KMO (0.55) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11138216 0.90 IDO1 (0.54) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11135042 0.87 IDO1 (0.51) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL5423077 0.83 IDO1 (0.62) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL2061822 0.82 IDO1 (0.64) KMOIDO1CDYL2CDYLCDY1; CDY1B
SCHEMBL11134988 0.81 KMO (0.81) KMOIDO1
SCHEMBL11239672 0.81 KMO (0.57) KMOAPEX1ALDH1A1NPSR1
SCHEMBL11133037 0.80 KMO (0.79) KMOIDO1
SCHEMBL11135147 0.77 ALDH1A1 (0.77) ALDH1A1NPSR1
SCHEMBL11139506 0.77 ALDH1A1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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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