SCHEMBL10889181

SCHEMBL10889181

C[C@H](NC1CCC(O)CC1)C(=O)O.O=C(O)[C@H](Cc1ccc(O)cc1)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.44
FOLH1 Q04609 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACE P12821 6/20 0.41
CPA1 P15085 3/20 0.41
ACE2 Q9BYF1 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HCK P08631 2/20 0.38
FLT3 P36888 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10889174 1.00 MME (0.44) MMEFOLH1NPC1RAB9AACE
SCHEMBL838650 0.87 NPC1 (0.54) MMEFOLH1NPC1RAB9AACE
SCHEMBL838649 0.87 NPC1 (0.54) MMEFOLH1NPC1RAB9AACE
SCHEMBL7263049 0.86 MME (0.52) MMEFOLH1NPC1RAB9AACE
SCHEMBL10934250 0.83 FOLH1 (0.51) MMEFOLH1ACECPA1ACE2
SCHEMBL10934246 0.83 FOLH1 (0.51) MMEFOLH1ACECPA1ACE2
Tyrosine SCHEMBL608841 0.81 SLC7A5 (0.58) NPC1RAB9ARECQL
Tyrosine SCHEMBL608840 0.81 SLC7A5 (0.58) NPC1RAB9ARECQL
SCHEMBL6439790 0.76 EPHX2 (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL29069408 0.76 EPHX2 (0.56) MMEACECPA1ACE2ALDH1A1

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
US-4568636-A QUANTITATIVE ANALYSIS OF PROTEOLYTIC ENZYMES, FLUORESCENCE; COLORIMETRIC ANALYSIS PENTAPHARM AG (CH) 1986-02-04 US disclosed
US-4428874-A QUANTITATIVE ANALYSIS OF PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1984-01-31 US disclosed
EP-0019589-A1 Tripeptide derivatives and their use in a process for determining enzymes Pentapharm A.G. (CH) 1980-11-26 EP disclosed