SCHEMBL5389540

SCHEMBL5389540

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
NAALAD2 Q9Y3Q0 2/20 0.54
FOLH1 Q04609 1/20 0.53
MMP2 P08253 4/20 0.53
MMP9 P14780 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADAMTS4 O75173 1/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL157547 0.92 MME (0.61) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL9178000 0.85 MME (0.54) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL2021357 0.85 MME (0.54) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL9178006 0.85 MME (0.54) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL30566993 0.85 MME (0.56) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL2021358 0.85 MME (0.54) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL4960292 0.85 MME (0.67) MMEMMP2MMP9ADAMTS4ACE
SCHEMBL9068541 0.83 MME (0.70) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL7379335 0.83 MME (0.70) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL25378415 0.83 CPA1 (0.58) MMENPSR1CYP1A2NAALAD2MMP2

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
JP-2007500747-A 2007-01-18 JP claimed
EP-1622633-A2 TREATMENT OF T-CELL MEDIATED DISEASES DMI Biosciences, Inc. (US) 2006-02-08 EP claimed
WO-2004103304-A2 TREATMENT OF T-CELL MEDIATED DISEASES DMI BIOSCIENCES, INC. (US) 2004-12-02 WO claimed