SCHEMBL7415543

SCHEMBL7415543

O=C(NC(=O)N1CCCCC1)c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.48
ALOX5 P09917 1/20 0.48
HPGD P15428 2/20 0.47
CYP3A4 P08684 2/20 0.46
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL11293792 1.00 GAA (0.71) GAAALOX15HTTSMN1; SMN2ALDH1A1
SCHEMBL30250433 0.84 GAA (0.50) GAAALOX15HTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29268507 0.83 GAA (0.49) GAAALOX15HTTSMN1; SMN2ALDH1A1
SCHEMBL11392443 0.81 GAA (0.68) GAAALOX15HTTSMN1; SMN2ALDH1A1
SCHEMBL6474890 0.81 GAA (0.96) GAAALOX15HTTSMN1; SMN2ALDH1A1
SCHEMBL6045903 0.78 HPGD (0.76) SMN1; SMN2ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL12490113 0.76 HPGD (0.72) SMN1; SMN2ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL2999120 0.76 HTT (0.69) GAAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16569138 0.76 RAB9A (0.65) GAASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2004792 0.75 ALDH1A1 (0.73) GAAHTTSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117840-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES CYTEL CORPORATION (US) 2000-09-12 US disclosed
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed
US-5936065-A PRODRUG AS ANTIINFLAMMATORY AGENT FOR AUTOIMMUNE DISEASES; FOR SUPPRESSING BINDING OF INFLAMMATORY CELLS TO ENDOTHELIAL CELLS THAT EXPRESS THE CS-1 PORTION OF FIBRONECTIN ON THEIR SURFACES CYTEL CORPORATION (US) 1999-08-10 US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 US disclosed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed