SCHEMBL7397641

SCHEMBL7397641

CCC(C)C(N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.71
ECE1 P42892 12/20 0.66
ALOX15 P16050 1/20 0.62

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
SCHEMBL3512696 1.00 ACE (0.71) ACEECE1ALOX15
SCHEMBL5481232 1.00 ACE (0.71) ACEECE1ALOX15
SCHEMBL8725890 1.00 ACE (0.71) ACEECE1ALOX15
SCHEMBL30051826 0.98 ACE (0.68) ACEECE1ALOX15
SCHEMBL29555460 0.96 ACE (0.66) ACEECE1ALOX15
SCHEMBL7404624 0.95 ACE (0.64) ACEECE1ALOX15
SCHEMBL30080510 0.95 ACE (0.64) ACEECE1ALOX15
SCHEMBL7404621 0.95 ACE (0.64) ACEECE1ALOX15
SCHEMBL30052487 0.94 ACE (0.63) ACEECE1
SCHEMBL30725664 0.94 ACE (0.70) 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
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO claimed