SCHEMBL9664672

SCHEMBL9664672

CCCCCC(=O)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.56
NOD1 Q9Y239 2/20 0.50
SLC15A1 P46059 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
PLA2G10 O15496 1/20 0.49
AKR1B1 P15121 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GPR84 Q9NQS5 6/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46

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
SCHEMBL9666516 0.98 PLA2G2C (0.59) PLA2G2CNOD1SLC15A1S1PR1S1PR3
SCHEMBL9666575 0.98 PLA2G2C (0.59) PLA2G2CNOD1SLC15A1S1PR1S1PR3
SCHEMBL6720392 0.98 PLA2G2C (0.59) PLA2G2CNOD1SLC15A1S1PR1S1PR3
SCHEMBL9666548 0.98 PLA2G2C (0.59) PLA2G2CNOD1SLC15A1S1PR1S1PR3
SCHEMBL7052915 0.86 NOD1 (0.49) PLA2G2CNOD1SLC15A1DPP4DPP8
SCHEMBL9664319 0.85 S1PR1 (0.46) PLA2G2CNOD1SLC15A1S1PR1S1PR3
SCHEMBL9664718 0.84 S1PR1 (0.48) PLA2G2CNOD1S1PR1S1PR3HSP90AA1
SCHEMBL9664231 0.84 S1PR1 (0.48) PLA2G2CNOD1S1PR1S1PR3HSP90AA1
SCHEMBL9664757 0.84 S1PR1 (0.48) PLA2G2CNOD1S1PR1S1PR3HSP90AA1
SCHEMBL9664874 0.84 S1PR1 (0.48) PLA2G2CNOD1S1PR1S1PR3HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP claimed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO claimed
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP disclosed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO disclosed