SCHEMBL9220222

SCHEMBL9220222

C[C@@H](N)C(=O)N[C@H](CCC(=O)N[C@H](C)C(=O)O)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.67
▸ FAAH O00519 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GLO1 Q04760 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ GSTK1 Q9Y2Q3 1/20 0.36
▸ ECE1 P42892 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL8821944 1.00 NOD1 (0.67) NOD1FAAHALDH1A1MAPTGLO1
SCHEMBL8821918 1.00 NOD1 (0.67) NOD1FAAHALDH1A1MAPTGLO1
SCHEMBL8821938 0.87 NOD1 (0.53) NOD1FAAHALDH1A1MAPTGLO1
SCHEMBL29430995 0.85 NOD1 (0.51) NOD1FAAHALDH1A1MAPTSMN1; SMN2
SCHEMBL31622131 0.83 NOD1 (0.51) NOD1FAAHALDH1A1MAPTSMN1; SMN2
SCHEMBL6129561 0.83 NOD1 (0.61) NOD1SLC6A5
SCHEMBL2508780 0.83 NOD1 (0.61) NOD1SLC6A5
SCHEMBL11103615 0.82 NOD1 (0.59) NOD1ECE1DPP4ERAP2ERAP1
SCHEMBL4217551 0.82 NOD1 (0.59) NOD1ECE1DPP4ERAP2ERAP1
SCHEMBL7927426 0.82 NOD1 (0.59) NOD1ECE1DPP4ERAP2ERAP1

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
US-5416070-A Composition for macrophage activation IMMUNOTHERAPEUTICS, INC. (US) 1995-05-16 — — US disclosed
EP-0527803-A1 COMPOSITION FOR MACROPHAGE ACTIVATION. IMMUNOTHERAPEUTICS INC (US) 1993-02-24 — — EP disclosed
WO-1991016347-A1 COMPOSITION FOR MACROPHAGE ACTIVATION IMMUNOTHERAPEUTICS, INC. (US) 1991-10-31 — — WO disclosed
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