SCHEMBL9799753

SCHEMBL9799753

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.67
▸ ACE P12821 3/20 0.61
▸ ECE1 P42892 12/20 0.57
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL9799741 1.00 ERAP2 (0.67) ERAP2ACEECE1ALOX15
SCHEMBL29500563 0.97 ERAP2 (0.67) ERAP2ACEECE1ALOX15
SCHEMBL30772212 0.96 ERAP2 (0.64) ERAP2ACEECE1
SCHEMBL29531509 0.92 ERAP2 (0.65) ERAP2ACEECE1
SCHEMBL30567418 0.92 ERAP2 (0.65) ERAP2ACEECE1
SCHEMBL31215422 0.91 ERAP2 (0.64) ERAP2ACEECE1ALOX15
SCHEMBL31483276 0.91 ERAP2 (0.69) ERAP2ACEECE1ALOX15
Oglufanide SCHEMBL24454642 0.91 ERAP2 (0.68) ERAP2ACEECE1ALOX15
Oglufanide SCHEMBL3053743 0.91 ERAP2 (0.68) ERAP2ACEECE1ALOX15
Oglufanide SCHEMBL5822555 0.91 ERAP2 (0.68) ERAP2ACEECE1ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013652-A DNA sequence for expression of polypeptides GENEX CORPORATION (US) 1991-05-07 — — US disclosed
EP-0329684-A4 COMPOSITE YEAST VECTORS. GENEX CORP (US) 1989-10-25 — — EP disclosed
EP-0329684-A1 COMPOSITE YEAST VECTORS GENEX CORPORATION (a Delaware corporation) (US) 1989-08-30 — — EP disclosed
WO-1988002779-A1 COMPOSITE YEAST VECTORS GENEX CORPORATION (US) 1988-04-21 — — WO disclosed
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