SCHEMBL7370637

SCHEMBL7370637

CCC(C)C(NC(=O)c1cc(Cc2cc(C(=O)N(CCc3ccccc3)C(=O)O)cc(C(=O)N(CCc3ccccc3)C(=O)O)c2)cc(C(=O)N(CCc2ccccc2)C(=O)O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.48
LNPEP Q9UIQ6 4/20 0.47
ANPEP P15144 4/20 0.47
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39
CTSD P07339 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7365391 0.94 AGTR2 (0.44) AGTR2LNPEPANPEPCA2CA1
SCHEMBL7444103 0.94 AGTR2 (0.44) AGTR2LNPEPANPEPCA2CA1
SCHEMBL7365722 0.90 LNPEP (0.49) AGTR2LNPEPANPEPCA2CA1
SCHEMBL7369023 0.83 LNPEP (0.48) AGTR2LNPEPANPEPCA2CA1
SCHEMBL7368170 0.81 PTPN1 (0.53) AGTR2CA2CA1MEN1KMT2A
SCHEMBL7364482 0.81 LNPEP (0.37) AGTR2LNPEPANPEPMEN1KMT2A
SCHEMBL7369936 0.77 PTPN1 (0.51) AGTR2CA2CA1
SCHEMBL7548954 0.75 LNPEP (0.59) AGTR2LNPEPANPEPCA2CA1
SCHEMBL7400488 0.75 LNPEP (0.59) AGTR2LNPEPANPEPCA2CA1
SCHEMBL7401025 0.75 LNPEP (0.59) AGTR2LNPEPANPEPCA2CA1

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