SCHEMBL15545167

SCHEMBL15545167

CN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MME P08473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
FPR2 P25090 6/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
Hydrochloric Acid SCHEMBL901419 0.87 MME (0.56) NAALAD2L3MBTL1MMENPSR1
Hydrochloric Acid SCHEMBL7323325 0.87 MME (0.56) NAALAD2L3MBTL1MMENPSR1
Hydrochloric Acid SCHEMBL3905709 0.87 MME (0.56) NAALAD2L3MBTL1MMENPSR1
SCHEMBL161255 0.86 MME (0.57) NAALAD2L3MBTL1MMENPSR1
SCHEMBL38479 0.86 MME (0.57) NAALAD2L3MBTL1MMENPSR1
SCHEMBL38480 0.86 MME (0.57) NAALAD2L3MBTL1MMENPSR1
SCHEMBL7937827 0.86 MME (0.57) NAALAD2L3MBTL1MMENPSR1
SCHEMBL8501294 0.85 NAALAD2 (0.47) NAALAD2MMENPSR1FPR2PPARG
SCHEMBL1324555 0.84 MME (0.56) NAALAD2L3MBTL1MMENPSR1
SCHEMBL1324550 0.84 MME (0.56) NAALAD2L3MBTL1MMENPSR1

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-2014008375-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2014-01-09 WO disclosed