SCHEMBL6665556

SCHEMBL6665556

CC(NC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.46
▸ REN P00797 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PEPD P12955 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL6665561 1.00 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL30052400 0.98 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL29485062 0.93 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL29485068 0.93 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL29485064 0.93 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL10656190 0.93 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL29485070 0.93 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL29630804 0.93 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL31688049 0.92 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL31045454 0.87 ACE (0.41) ACERENKDM4EF2LMNA

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
WO-2004016231-A2 PROTECTION OF PATIENTS LACKING A FUNCTIONAL SPLEEN AGAINST S. PNEUMONIAE WITH PNEUMOCOCCAL SURFACE PROTEIN A (PspA) UAB RESEARCH FOUNDATION (US) 2004-02-26 — — WO disclosed
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