SCHEMBL5148295

SCHEMBL5148295

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.49
MME P08473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.44
MMP2 P08253 5/20 0.43
MMP9 P14780 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADAMTS4 O75173 1/20 0.43
CYP1A2 P05177 1/20 0.43
FOLH1 Q04609 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
SCHEMBL457886 0.92 MME (0.53) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL457887 0.92 MME (0.53) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL93439 0.87 GNPAT (0.58) GNPATMMENPSR1ALPIPKM
SCHEMBL5694618 0.87 GNPAT (0.58) GNPATMMENPSR1ALPIPKM
SCHEMBL412958 0.87 GNPAT (0.58) GNPATMMENPSR1ALPIPKM
SCHEMBL93440 0.87 GNPAT (0.58) GNPATMMENPSR1ALPIPKM
Hydrochloric Acid SCHEMBL27197703 0.85 GNPAT (0.57) GNPATMMENPSR1ALPIPKM
Oxalic Acid SCHEMBL8649953 0.84 GNPAT (0.56) GNPATMMENPSR1ALPIPKM
Malonic Acid SCHEMBL8644619 0.82 GNPAT (0.55) GNPATMMENPSR1ALPIPKM
Succinic Acid SCHEMBL8643183 0.81 NAALAD2 (0.60) GNPATMMENPSR1ALPIPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755584-A4 TREATMENT OF MYOPIA UNIV CALIFORNIA (US) 2007-10-31 EP disclosed
EP-1755584-A1 TREATMENT OF MYOPIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-28 EP disclosed
WO-2005110397-A1 TREATMENT OF MYOPIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-24 WO disclosed