SCHEMBL16371306

SCHEMBL16371306

O=C(O)CNC(=O)[CH]CS

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
ACE P12821 3/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTH P32929 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ECE1 P42892 1/20 0.33
BLM P54132 1/20 0.33
NPEPPS P55786 1/20 0.33

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
SCHEMBL6982581 0.72
SCHEMBL5501028 0.71
SCHEMBL2159350 0.70
SCHEMBL28715 0.70
SCHEMBL9726601 0.70
SCHEMBL17373960 0.70 EGLN1 (0.48) MMEALDH1A1MAPTLMNAPTGS2
SCHEMBL8004720 0.68 ALDH1A1 (0.50) ALDH1A1LMNAPOLBEGLN1SMN1; SMN2
SCHEMBL8497674 0.68 ALDH1A1 (0.56) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL8004724 0.68 ALDH1A1 (0.50) ALDH1A1LMNAPOLBEGLN1SMN1; SMN2
SCHEMBL75812 0.67

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
EP-3019515-A2 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Usera, Aimee (US) 2016-05-18 EP claimed
WO-2015006728-A2 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USERA AIMEE (US) 2015-01-15 WO claimed