SCHEMBL7412504

SCHEMBL7412504

O=C(Cc1ccccc1)NC(=O)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.57
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ NR4A1 P22736 1/20 0.52
▸ KCNQ2 O43526 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CNR2 P34972 2/20 0.49
▸ DPP7 Q9UHL4 1/20 0.49
▸ USP2 O75604 1/20 0.49

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
SCHEMBL8066357 0.98 GAA (0.59) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL7412108 0.86 POLB (0.55) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL7414197 0.84 SIGMAR1 (0.50) KMT2AMEN1ALDH1A1HDAC8HDAC6
SCHEMBL8403770 0.83 L3MBTL1 (0.67) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8329590 0.83 FAAH (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7414475 0.81 KDM4E (0.60) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL8188060 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL8186034 0.80 FAAH (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL699925 0.78 MEN1 (0.71) GAAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7419870 0.77 HPGD (0.46) GAAKMT2AMAPTKDM4ENPC1

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
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