SCHEMBL7368170

SCHEMBL7368170

O=C(NC(Cc1ccccc1)C(=O)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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
ACE P12821 2/20 0.48
AGTR2 P50052 2/20 0.46
GPR132 Q9UNW8 2/20 0.46
CA2 P00918 3/20 0.46
CA1 P00915 3/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7369936 0.95 PTPN1 (0.51) PTPN1ACEAGTR2GPR132CA2
SCHEMBL7365722 0.86 LNPEP (0.49) PTPN1ACEAGTR2CA2CA1
SCHEMBL7370637 0.81 AGTR2 (0.48) AGTR2CA2CA1KMT2AMEN1
SCHEMBL7365573 0.79 PTPN1 (0.59) PTPN1ACEAGTR2GPR132CA2
SCHEMBL7365391 0.77 AGTR2 (0.44) AGTR2CA2CA1KMT2AMEN1
SCHEMBL7444103 0.77 AGTR2 (0.44) AGTR2CA2CA1KMT2AMEN1
SCHEMBL111235 0.72 ACE (0.76) PTPN1ACEGPR132CA2CA1
SCHEMBL111236 0.72 ACE (0.76) PTPN1ACEGPR132CA2CA1
SCHEMBL528464 0.72 ACE (0.76) PTPN1ACEGPR132CA2CA1
Hydrochloric Acid SCHEMBL10622640 0.71 ACE (0.74) PTPN1ACEGPR132CA2CA1

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