SCHEMBL18249986

SCHEMBL18249986

CC(C)C[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1.CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SLC7A5 Q01650 4/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
TPH1 P17752 3/20 0.38
PTGS2 P35354 1/20 0.37
ACE P12821 1/20 0.37
LTA4H P09960 1/20 0.37
GRB2 P62993 1/20 0.36

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
SCHEMBL1537439 0.88 PTPN1 (0.49) PTPN1ITGB3ITGA2BSLC7A5ALPI
SCHEMBL14247974 0.88 PTPN1 (0.49) PTPN1ITGB3ITGA2BSLC7A5ALPI
SCHEMBL829349 0.88 SLC7A5 (0.51) PTPN1ITGB3ITGA2BSLC7A5ALPI
Tyrosine SCHEMBL7795413 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Valine SCHEMBL17294090 0.84 PTPN1 (0.43) PTPN1ITGB3ITGA2BSLC7A5ALPI
Glycine SCHEMBL2448454 0.84 ITGB3 (0.47) PTPN1ITGB3ITGA2BSLC7A5ALPI
SCHEMBL11338509 0.81 ANPEP (0.49) SLC7A5ALPIPKMPTGS1XIAP
Isoleucine SCHEMBL29165062 0.80 PTPN1 (0.42) PTPN1ITGB3ITGA2BSLC7A5ALPI
Tyrosine SCHEMBL3442321 0.79 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL3131432 0.79 SLC7A5 (0.46) SLC7A5ALPIPKMPTGS1XIAP

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
EP-3298025-A1 NEW AMINO ACID SEQUENCES WITH MICROBICIDAL ACTIVITY DERIVED FROM NAJA ATRA CARDIOTOXIN 1 (CTX-1) Università degli Studi di Parma (IT) 2018-03-28 EP disclosed
WO-2016184855-A1 NEW AMINO ACID SEQUENCES WITH MICROBICIDAL ACTIVITY DERIVED FROM NAJA ATRA CARDIOTOXIN 1 (CTX-1) Università degli Studi di Parma (IT) 2016-11-24 WO disclosed