SCHEMBL5690868

SCHEMBL5690868

Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NCCC2(C)C)[C@@H](Cc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.45
PTPN1 P18031 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 3/20 0.37
F10 P00742 1/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5690327 0.85 HDAC8 (0.44) HDAC8PTPN1NPSR1MCL1F10
SCHEMBL5692100 0.85 PTPN2 (0.44) PTPN1MEN1KMT2A
SCHEMBL5690683 0.81 HDAC8 (0.44) HDAC8PTPN1NPSR1MCL1F10
SCHEMBL5690308 0.81 HDAC8 (0.44) HDAC8PTPN1NPSR1MCL1F10
SCHEMBL5690230 0.80 MAPT (0.38) NPSR1POLBMEN1KMT2A
SCHEMBL5690922 0.79 PTPN2 (0.43) PTPN1TDP1MEN1KMT2A
SCHEMBL5690793 0.73 ITGB1 (0.57) HDAC8MCL1MEN1KMT2A
SCHEMBL3852344 0.71 P2RX7 (0.32) MEN1KMT2A
SCHEMBL5690869 0.71 POLB (0.43) HDAC8MCL1POLBMEN1KMT2A
SCHEMBL7326742 0.71 ITGB3 (0.37) MEN1KMT2A

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
EP-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP claimed
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US claimed
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
EP-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP disclosed
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US disclosed