SCHEMBL5869820

SCHEMBL5869820

Cc1ccc(CC(CC(=O)O)NC(CC(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.48
MME P08473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
ANPEP P15144 1/20 0.43
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
LTA4H P09960 1/20 0.42
ACE P12821 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8248805 1.00 FOLH1 (0.48) FOLH1MMEALDH1A1ANPEPCYP2C19
SCHEMBL5869386 0.81 MME (0.55) FOLH1MMEALDH1A1ACETDP1
SCHEMBL5869343 0.81 MME (0.55) FOLH1MMEALDH1A1ACETDP1
SCHEMBL5869380 0.81 MME (0.55) FOLH1MMEALDH1A1ACETDP1
SCHEMBL5870042 0.81 MME (0.44) FOLH1MMELTA4HACE
SCHEMBL8249013 0.81 MME (0.44) FOLH1MMELTA4HACE
SCHEMBL8255233 0.76 MMP3 (0.47) MMEANPEPLTA4HACE
SCHEMBL5869885 0.76 MMP3 (0.47) MMEANPEPLTA4HACE
SCHEMBL5870172 0.75 POLB (0.42) MMEALDH1A1MAPK1TDP1
SCHEMBL8258150 0.75 CYP2C19 (0.49) ALDH1A1CYP2C19TDP1

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed