SCHEMBL7369023

SCHEMBL7369023

CCC(C)CN(C(=O)O)C(=O)c1cc(Cc2cc(C(=O)N(CC(C)CC)C(=O)O)cc(C(=O)N(CC(C)CC)C(=O)O)c2)cc(C(=O)NC(C(=O)O)C(C)CC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.48
ANPEP P15144 3/20 0.48
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
AGTR2 P50052 2/20 0.42
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALOX15 P16050 1/20 0.35
FPR2 P25090 3/20 0.35
MAPK1 P28482 1/20 0.35
PYGL P06737 1/20 0.34
CYP2C9 P11712 1/20 0.34

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 0.91 AGTR2 (0.44) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7444103 0.91 AGTR2 (0.44) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7370637 0.83 AGTR2 (0.48) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7365722 0.75 LNPEP (0.49) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7403012 0.72 LNPEP (0.62) LNPEPANPEPCA2CA1
SCHEMBL8803228 0.72 CYP2C9 (0.40) ANPEPCA2CA1AGTR2KMT2A
SCHEMBL7405758 0.69 LNPEP (0.59) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7548954 0.69 LNPEP (0.59) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7400488 0.69 LNPEP (0.59) LNPEPANPEPCA2CA1AGTR2
SCHEMBL7401025 0.69 LNPEP (0.59) LNPEPANPEPCA2CA1AGTR2

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