SCHEMBL8188060

SCHEMBL8188060

O=C(Cc1ccccc1)NC(=O)N1CC(O)C(O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7414197 0.82 SIGMAR1 (0.50) KMT2AMEN1HDAC8HDAC6EPHX2
SCHEMBL7412504 0.81 GAA (0.57) KMT2AMEN1HDAC8HDAC6EPHX2
SCHEMBL8066357 0.79 GAA (0.59) KMT2AMEN1HDAC8HDAC6EPHX2
SCHEMBL8060133 0.78 L3MBTL1 (0.58) POLBALDH1A1LMNAL3MBTL1
SCHEMBL8403770 0.78 L3MBTL1 (0.67) KMT2AMEN1EPHX2SIGMAR1POLB
SCHEMBL7412108 0.77 POLB (0.55) KMT2AMEN1HDAC8HDAC6EPHX2
SCHEMBL7414475 0.76 KDM4E (0.60) KMT2AMEN1SIGMAR1MAPTPKM
SCHEMBL699925 0.75 MEN1 (0.71) KMT2AMEN1HDAC8HDAC6EPHX2
SCHEMBL8329590 0.75 FAAH (0.49) KMT2AMEN1HDAC8HDAC6SIGMAR1
SCHEMBL11377543 0.74 DPP4 (0.43) KMT2AMEN1HDAC8HDAC6EPHX2

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 3 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-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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