SCHEMBL9752863

SCHEMBL9752863

CCCCCCCCCCCCCCCC(=O)N[C@H](CCCC)C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 14/20 0.87
SLC6A5 Q9Y345 2/20 0.68
PLA2G2C Q5R387 1/20 0.61
FAAH O00519 2/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
EPHX2 P34913 1/20 0.56

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
SCHEMBL9624935 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL22151170 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL27471027 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL9831223 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL8423000 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL6143109 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL9644613 1.00 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL9626993 0.98 NOD1 (0.84) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL7170497 0.98 NOD1 (0.84) NOD1SLC6A5PLA2G2CFAAHMEN1
SCHEMBL8590565 0.96 NOD1 (0.87) NOD1SLC6A5PLA2G2CFAAHMEN1

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
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO claimed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed