SCHEMBL5869451

SCHEMBL5869451

CCCCC(NC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.53
POLB P06746 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTSK P43235 7/20 0.43
CNR2 P34972 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAAA Q02083 2/20 0.42

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
SCHEMBL8249158 1.00 MME (0.53) MMEPOLBNAALAD2ACECPA1
SCHEMBL21461809 0.84 HRH1 (0.49) MMENAALAD2ACE
SCHEMBL16207519 0.84 HRH1 (0.49) MMENAALAD2ACE
SCHEMBL19100379 0.83 MMP2 (0.52) NAALAD2ACECA2
SCHEMBL22657404 0.83 MMP2 (0.52) NAALAD2ACECA2
SCHEMBL7750537 0.81 NAALAD2 (0.70) NAALAD2ALDH1A1
SCHEMBL10620657 0.81 MME (0.50) MMEPOLBACECNR2ALDH1A1
SCHEMBL8255247 0.78 FOLH1 (0.55) MMENAALAD2CTSK
SCHEMBL8248672 0.78 FOLH1 (0.55) MMENAALAD2CTSK
SCHEMBL8249122 0.78 FOLH1 (0.55) MMENAALAD2CTSK

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