SCHEMBL10599643

SCHEMBL10599643

CCCCCCCCCCCCCCC(NC(C)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.60
SIRT6 Q8N6T7 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
GPR84 Q9NQS5 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR1 O14842 1/20 0.52
SLC6A5 Q9Y345 2/20 0.51
GNPAT O15228 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50

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
SCHEMBL10599969 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL10602700 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL4609045 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL10603409 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL10599977 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL5982247 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL10600983 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL10603414 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL21801849 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT
SCHEMBL8096053 1.00 NOD1 (0.60) NOD1SIRT6SIRT1GPR84MAPT

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-0207580-B1 PROCESS FOR THE SYNTHESIS OF N-ACETYL AMINO ACIDS FROM OLEFINS, ACETAMIDE AND SYNGAS TEXACO DEVELOPMENT CORPORATION (US) 1989-07-26 EP disclosed
EP-0207580-A1 Process for the synthesis of N-acetyl amino acids from olefins, acetamide and syngas TEXACO DEVELOPMENT CORPORATION (US) 1987-01-07 EP disclosed