SCHEMBL7365573

SCHEMBL7365573

O=C(NC(Cc1ccccc1)C(=O)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(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
CA2 P00918 4/20 0.57
CA1 P00915 3/20 0.57
ACE P12821 4/20 0.56
MME P08473 1/20 0.56
GPR132 Q9UNW8 1/20 0.56
CTSL P07711 1/20 0.53
AGTR2 P50052 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7548954 0.88 LNPEP (0.59) PTPN1CA2CA1ACEMME
SCHEMBL7500763 0.88 LNPEP (0.59) PTPN1CA2CA1ACEMME
SCHEMBL7405758 0.88 LNPEP (0.59) PTPN1CA2CA1ACEMME
SCHEMBL7400488 0.88 LNPEP (0.59) PTPN1CA2CA1ACEMME
SCHEMBL7401025 0.88 LNPEP (0.59) PTPN1CA2CA1ACEMME
SCHEMBL7369936 0.86 PTPN1 (0.51) PTPN1CA2CA1ACEMME
SCHEMBL8667639 0.86 CA2 (0.69) PTPN1CA2CA1ACEMME
SCHEMBL5793343 0.86 CA2 (0.69) PTPN1CA2CA1ACEMME
SCHEMBL3404637 0.86 CA2 (0.69) PTPN1CA2CA1ACEMME
SCHEMBL8520566 0.86 PTPN1 (0.72) PTPN1CA2CA1ACEMME

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