SCHEMBL7861189

SCHEMBL7861189

CC(CNOCc1ccccc1)C[C@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.48
CPB1 P15086 1/20 0.48
CPA3 P15088 1/20 0.48
CPB2 Q96IY4 1/20 0.48
LTA4H P09960 2/20 0.45
FOLH1 Q04609 2/20 0.42
SLC15A1 P46059 1/20 0.41
SLC1A1 P43005 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
CYP1A2 P05177 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
SCHEMBL7277804 0.81 ACE2 (0.46) FOLH1SLC1A1NPC1RAB9AANPEP
SCHEMBL14028935 0.77 APAF1 (0.50) SLC1A1NPC1RAB9ACYP1A2
SCHEMBL14028939 0.77 APAF1 (0.50) SLC1A1NPC1RAB9ACYP1A2
SCHEMBL14028933 0.77 APAF1 (0.50) SLC1A1NPC1RAB9ACYP1A2
SCHEMBL7080774 0.76 CYP1A2 (0.59) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL7080779 0.76 CYP1A2 (0.59) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL7080776 0.76 CYP1A2 (0.59) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL7355714 0.75 CPA1 (0.56) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL16449741 0.74 SIGMAR1 (0.44) NPC1RAB9A
SCHEMBL16898377 0.73 NPC1 (0.44) FOLH1SLC1A1NPC1RAB9ACYP1A2

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
EP-1082963-A1 REMEDIES FOR JOINT DISEASES BOUND TO HYALURONIC ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-14 EP disclosed