SCHEMBL7369936

SCHEMBL7369936

O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1cc(Cc2cc(C(=O)N(CCc3ccccc3)C(=O)O)cc(C(=O)N(CCc3ccccc3)C(=O)O)c2)cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
ACE P12821 5/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
GPR132 Q9UNW8 1/20 0.44
MME P08473 1/20 0.44
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
AGTR2 P50052 2/20 0.43
CTSL P07711 1/20 0.42

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
SCHEMBL7368170 0.95 PTPN1 (0.53) PTPN1ACECA1CA2CA12
SCHEMBL7365722 0.91 LNPEP (0.49) PTPN1ACECA1CA2CA12
SCHEMBL7365573 0.86 PTPN1 (0.59) PTPN1ACECA1CA2GPR132
SCHEMBL7370637 0.77 AGTR2 (0.48) CA1CA2AGTR2
SCHEMBL7400488 0.76 LNPEP (0.59) PTPN1ACECA1CA2CA12
SCHEMBL7405758 0.76 LNPEP (0.59) PTPN1ACECA1CA2CA12
SCHEMBL7548954 0.76 LNPEP (0.59) PTPN1ACECA1CA2CA12
SCHEMBL7500763 0.76 LNPEP (0.59) PTPN1ACECA1CA2CA12
SCHEMBL7401025 0.76 LNPEP (0.59) PTPN1ACECA1CA2CA12
SCHEMBL5793343 0.74 CA2 (0.69) PTPN1ACECA1CA2CA12

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