SCHEMBL7675660

SCHEMBL7675660

O=C(C=Cc1ccccc1Sc1ccccc1C=CC(=O)NCCCCCCO)NCCCCCCO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.77
ICAM1 P05362 8/20 0.77
ITGAL P20701 8/20 0.77
EGFR P00533 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7675648 1.00 ITGB2 (0.77) ITGB2ICAM1ITGALEGFRKMT2A
SCHEMBL6765914 0.88 ITGB2 (0.76) ITGB2ICAM1ITGALKMT2AHDAC1
SCHEMBL6765916 0.88 ITGB2 (0.76) ITGB2ICAM1ITGALKMT2AHDAC1
SCHEMBL5830932 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2AHDAC1
SCHEMBL6759553 0.87 ITGB2 (0.74) ITGB2ICAM1ITGALKMT2AHDAC1
SCHEMBL6759534 0.87 ITGB2 (0.61) ITGB2ICAM1ITGALEGFRKMT2A
SCHEMBL6759529 0.87 ITGB2 (0.61) ITGB2ICAM1ITGALEGFRKMT2A
SCHEMBL6759557 0.87 ITGB2 (0.74) ITGB2ICAM1ITGALKMT2AHDAC1
SCHEMBL6763181 0.86 ITGB2 (0.98) ITGB2ICAM1ITGALKMT2AHDAC1
SCHEMBL6763184 0.86 ITGB2 (0.98) ITGB2ICAM1ITGALKMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed