SCHEMBL7400488

SCHEMBL7400488

CCC(C)C(NC(=O)c1cc(Cc2cc(C(=O)NC(Cc3ccccc3)C(=O)O)cc(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)c2)cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.59
ANPEP P15144 4/20 0.59
ACE P12821 10/20 0.54
MME P08473 6/20 0.53
CPA1 P15085 5/20 0.53
ACE2 Q9BYF1 5/20 0.53
PTPN1 P18031 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
AGTR2 P50052 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 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
SCHEMBL7401025 1.00 LNPEP (0.59) LNPEPANPEPACEMMECPA1
SCHEMBL7405758 1.00 LNPEP (0.59) LNPEPANPEPACEMMECPA1
SCHEMBL7548954 1.00 LNPEP (0.59) LNPEPANPEPACEMMECPA1
SCHEMBL7500763 1.00 LNPEP (0.59) LNPEPANPEPACEMMECPA1
SCHEMBL7403012 0.97 LNPEP (0.62) LNPEPANPEPACEMMECPA1
SCHEMBL7365722 0.89 LNPEP (0.49) LNPEPANPEPACEMMECPA1
SCHEMBL7365573 0.88 PTPN1 (0.59) ACEMMEPTPN1CA1CA2
SCHEMBL11314288 0.82 ACE (0.64) ACEMMECPA1ACE2
Alcohol SCHEMBL19231109 0.76 CTSL (0.65) ACEMMECPA1ACE2PTPN1
SCHEMBL7369936 0.76 PTPN1 (0.51) ACEMMEPTPN1CA1CA2

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-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 EP disclosed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 WO disclosed