SCHEMBL7101675

SCHEMBL7101675

C[C@H](N)C(=O)NC(=O)[C@@H]1CC(C2CCCCC2)CN1Cc1ccc(NCC(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
ACE P12821 4/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XIAP P98170 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
F2 P00734 2/20 0.32
PPARD Q03181 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL7102441 0.91 ACE (0.34) ACEMEN1USP2LMNAKMT2A
SCHEMBL7100961 0.89 XIAP (0.35) PTGER4ACEMEN1USP2LMNA
Hydrochloric Acid SCHEMBL7148146 0.84 F2 (0.46) PTGER4F2
SCHEMBL7144656 0.83 F2 (0.45) PTGER4F2
SCHEMBL7139402 0.82 PTGER4 (0.36) PTGER4ACEMEN1USP2LMNA
Hydrochloric Acid SCHEMBL7142554 0.82 PTGER4 (0.35) PTGER4ACEMEN1USP2LMNA
SCHEMBL7361838 0.81 PTGER4 (0.35) PTGER4ACEMEN1USP2LMNA
SCHEMBL7104014 0.81 OPRM1 (0.37) PTGER4ACEMEN1USP2LMNA
Hydrochloric Acid SCHEMBL7141000 0.81 MC3R (0.34) PTGER4F2
SCHEMBL7249630 0.80 NPC1 (0.30) KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed