SCHEMBL8520404

SCHEMBL8520404

CCC(NC(CCC(N)=O)C(=O)O)C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
FOLH1 Q04609 2/20 0.33
USP2 O75604 1/20 0.32
RIMKLA Q8IXN7 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
BMP1 P13497 1/20 0.32
MAGI3 Q5TCQ9 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL5158281 0.82 KMT2A (0.42) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL3364509 0.82 KMT2A (0.42) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL2248015 0.77 KMT2A (0.44) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL7762307 0.77 KMT2A (0.44) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL8422505 0.76 ECE1 (0.35) TGFBR1
SCHEMBL8633804 0.76 KMT2A (0.47) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL3334377 0.75 KMT2A (0.45) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL1221387 0.75 KMT2A (0.45) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL24165071 0.75 KMT2A (0.48) TGFBR1KMT2AALOX15BLMPMP22
SCHEMBL28360583 0.74 KMT2A (0.41) TGFBR1KMT2AALOX15BLMPMP22

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-5858244-A COPOLYMER COMPRISING AT LEAST ONE OF N-OXYGENATEDHYDROCARBONAMIDE MONOMERS AND AT LEAST ONE OF AMINO ACID MONOMERS, POLYSUCCINIMIDES NALCO CHEMICAL COMPANY (US) 1999-01-12 US claimed
US-5776875-A Use of biodegradable polymers in preventing scale build-up NALCO CHEMICAL COMPANY (US) 1998-07-07 US claimed
EP-0819653-A2 Use of biodegradable polymers in preventing scale build-up NALCO CHEMICAL COMPANY (US) 1998-01-21 EP claimed