SCHEMBL8528348

SCHEMBL8528348

CCCCCN[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.49
HPGD P15428 1/20 0.43
TLR2 O60603 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.40
CSNK1E P49674 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL9726212 1.00 SIGMAR1 (0.49) SIGMAR1HPGDTLR2MEN1KMT2A
SCHEMBL8534426 0.85 CNR1 (0.44) SIGMAR1
SCHEMBL9044382 0.84 CNR1 (0.47) SIGMAR1
SCHEMBL4314476 0.82 SIGMAR1 (0.56) SIGMAR1MEN1KMT2A
SCHEMBL8340029 0.82 SIGMAR1 (0.56) SIGMAR1MEN1KMT2A
SCHEMBL11228655 0.79 SIGMAR1 (0.41) SIGMAR1
SCHEMBL3464964 0.77 SIGMAR1 (0.77) SIGMAR1
SCHEMBL8530955 0.77 FAAH (0.55) MEN1KMT2A
SCHEMBL9303452 0.76 LTA4H (0.45) SIGMAR1
SCHEMBL28469500 0.76 FAAH (0.54) HPGDTLR2BCHENAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811391-A INHIBITS BINDING BETWEEN THE VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND A FIBRONECTIN; ANTIINFLAMMATORY AND-ARTHRITIC AGENTS; ASTHMA; OLIGOPEPTIDES CYTEL CORPORATION (US) 1998-09-22 US claimed
EP-0777681-A2 CYCLIC CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1997-06-11 EP claimed
WO-1996006108-A2 CYCLIC CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-02-29 WO claimed
US-5869448-A INHIBIT BINDING BETWEEN VLA-4 RECEPTOR AND FIBRONECTIN CS-1 PEPTIDES; TREATING IMMUNOINFLAMMATORY CONDITIONS CYTEL CORPORATION (US) 1999-02-09 US disclosed
US-5811391-A INHIBITS BINDING BETWEEN THE VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND A FIBRONECTIN; ANTIINFLAMMATORY AND-ARTHRITIC AGENTS; ASTHMA; OLIGOPEPTIDES CYTEL CORPORATION (US) 1998-09-22 US disclosed
EP-0777681-A2 CYCLIC CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1997-06-11 EP disclosed
WO-1996006108-A2 CYCLIC CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-02-29 WO disclosed