SCHEMBL29630365

SCHEMBL29630365

NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.62
▸ LNPEP Q9UIQ6 3/20 0.62
▸ MMP2 P08253 1/20 0.58
▸ GNPAT O15228 1/20 0.58
▸ OPRK1 P41145 1/20 0.54
▸ ECE1 P42892 1/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.51
▸ CTSC P53634 1/20 0.50

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
SCHEMBL7120877 1.00 ERAP2 (0.62) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL30051985 0.97 GNPAT (0.62) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL30915103 0.97 GNPAT (0.62) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL170652 0.97 ERAP2 (0.65) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL29382413 0.97 ERAP2 (0.65) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL9747671 0.97 ERAP2 (0.65) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL29372662 0.97 ERAP2 (0.65) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL28540087 0.97 ERAP2 (0.65) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL1711485 0.97 ERAP2 (0.65) ERAP2LNPEPMMP2GNPATOPRK1
SCHEMBL29883922 0.96 ERAP2 (0.59) ERAP2LNPEPMMP2GNPATOPRK1

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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