SCHEMBL9068541

SCHEMBL9068541

O=C(O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.70
CYP1A2 P05177 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NAALAD2 Q9Y3Q0 2/20 0.57
FOLH1 Q04609 1/20 0.56
MMP2 P08253 4/20 0.56
MMP9 P14780 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADAMTS4 O75173 1/20 0.56
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54

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
SCHEMBL7379335 1.00 MME (0.70) MMECYP1A2NPSR1NAALAD2FOLH1
SCHEMBL7387218 0.92 MME (0.82) MMEMMP2MMP9ADAMTS4ACE
SCHEMBL23120319 0.91 MME (0.60) MMECYP1A2NPSR1NAALAD2MMP2
SCHEMBL7759675 0.91 MME (0.60) MMECYP1A2NPSR1NAALAD2MMP2
SCHEMBL7377188 0.89 MME (0.69) MMENPSR1NAALAD2ACECPA1
SCHEMBL5870198 0.89 MME (0.88) MMECYP1A2NPSR1NAALAD2MMP2
SCHEMBL5685972 0.89 MME (0.59) MMECYP1A2NPSR1NAALAD2MMP2
SCHEMBL8258027 0.89 MME (0.88) MMECYP1A2NPSR1NAALAD2MMP2
SCHEMBL3506385 0.88 MME (0.58) MMECYP1A2NPSR1NAALAD2FOLH1
SCHEMBL123574 0.88 MME (0.58) MMECYP1A2NPSR1NAALAD2L3MBTL1

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed