SCHEMBL27550574

SCHEMBL27550574

CC(C)(C)OC(=O)C(C(=O)O)C(N)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.32
SLC1A1 P43005 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL27859153 0.84 SLC7A5 (0.35) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL27893717 0.84 SLC7A5 (0.35) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL4934742 0.82 SLC7A5 (0.42) SLC7A5KMT2AMEN1NOS1NOS3
SCHEMBL4936597 0.82 SLC1A2 (0.37) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL4936742 0.82 SLC1A2 (0.37) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL4936722 0.82 SLC7A5 (0.42) SLC7A5KMT2AMEN1NOS1NOS3
SCHEMBL7814662 0.80 NOS1 (0.37) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL31733944 0.80 NOS1 (0.37) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL4106257 0.80 KMT2A (0.39) SLC7A5KMT2AMEN1GAANOS1
SCHEMBL27656864 0.80 KMT2A (0.39) SLC7A5KMT2AMEN1GAANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN disclosed
CN-1290248-A Serine carbonates GIVAUDAN ROURE INT (CH) 2001-04-04 CN disclosed