SCHEMBL8209207

SCHEMBL8209207

O=C(SCC(Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.68
MME P08473 3/20 0.66
ACE P12821 2/20 0.59
ECE1 P42892 1/20 0.58

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
SCHEMBL6171453 1.00 LTA4H (0.68) LTA4HMMEACEECE1
SCHEMBL6173147 1.00 LTA4H (0.68) LTA4HMMEACEECE1
SCHEMBL6171450 1.00 LTA4H (0.68) LTA4HMMEACEECE1
SCHEMBL7367493 1.00 LTA4H (0.68) LTA4HMMEACEECE1
SCHEMBL6172199 0.89 LTA4H (0.69) LTA4HMMEACEECE1
SCHEMBL6172205 0.89 LTA4H (0.69) LTA4HMMEACEECE1
SCHEMBL10939531 0.85 ITGB2 (0.62) ACEECE1
SCHEMBL10947938 0.85 ACE (0.60) ACEECE1
SCHEMBL10944436 0.85 ITGB2 (0.62) ACEECE1
SCHEMBL10943428 0.85 ACE (0.60) ACEECE1

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
US-6136842-A INHIBITION OF ENDOTHELIN-CONVERTING ENZYME HOECHST MARION ROUSSEL (FR) 2000-10-24 US disclosed