SCHEMBL5612647

SCHEMBL5612647

CC(CCCN=NCCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.54
▸ GABRR1 P24046 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.45
▸ TBXAS1 P24557 2/20 0.39
▸ CYP2C19 P33261 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ NOS1 P29475 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ DDAH1 O94760 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ THPO P40225 1/20 0.35

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
SCHEMBL6913876 0.82 BLM (0.40) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL233225 0.82 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL7179523 0.82 BLM (0.65) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL16330413 0.82 BLM (0.65) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL17285499 0.82 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL20191290 0.80 BLM (0.48) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL5977939 0.79 ACE2 (0.64) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL20612872 0.79 ACE2 (0.64) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL9001608 0.79 ACE2 (0.64) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL31073666 0.79 ACE2 (0.64) BLMGABRR1CYP1A2LTA4HACE2

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-2007050325-A2 EXTRUDABLE ACRYLIC COMPOSITIONS LUCITE INTERNATIONAL, INC. (US) 2007-05-03 — — WO disclosed
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