SCHEMBL7414197

SCHEMBL7414197

O=C(Cc1ccccc1)NC(=O)N1CCC(O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FAAH O00519 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ TACR3 P29371 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC9 Q9UKV0 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
SCHEMBL8403770 0.87 L3MBTL1 (0.67) SIGMAR1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL7414475 0.85 KDM4E (0.60) SIGMAR1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL7412504 0.84 GAA (0.57) MEN1KMT2AL3MBTL1EPHX2ALDH1A1
SCHEMBL8066357 0.83 GAA (0.59) MEN1KMT2AL3MBTL1EPHX2ALDH1A1
SCHEMBL8188060 0.82 KMT2A (0.47) SIGMAR1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL7412108 0.81 POLB (0.55) SIGMAR1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL8329590 0.78 FAAH (0.49) SIGMAR1MEN1KMT2AFAAHALDH1A1
SCHEMBL8186034 0.75 FAAH (0.46) SIGMAR1MEN1KMT2AFAAHALDH1A1
SCHEMBL12489580 0.74 ALDH1A1 (0.68) L3MBTL1TACR3ALDH1A1POLBHDAC8
SCHEMBL16973965 0.74 ALDH1A1 (0.68) L3MBTL1TACR3ALDH1A1POLBHDAC8

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 6 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
US-6103870-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF ASTHMA CYTEL CORPORATION (US) 2000-08-15 — — 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
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