SCHEMBL6317023

SCHEMBL6317023

O=C(/C=C/c1c(-c2ccccc2Br)cc(Sc2cc(-c3ccccc3Br)c(/C=C/C(=O)N3CCOCC3)c(Cl)c2Cl)c(Cl)c1Cl)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.51
ITGB2 P05107 11/20 0.51
ICAM1 P05362 11/20 0.51
RAB9A P51151 5/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6309658 0.89 ITGAL (0.52) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6317720 0.88 ITGAL (0.51) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6310688 0.84 ITGAL (0.48) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6317608 0.84 RAB9A (0.48) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6318617 0.81 RAB9A (0.49) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6919943 0.81 ITGAL (0.52) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6312958 0.80 ITGB2 (0.41) ITGALITGB2ICAM1KDM4E
SCHEMBL6318327 0.80 SMN1; SMN2 (0.55) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL7618990 0.80 ITGAL (0.60) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6310203 0.79 ITGAL (0.49) ITGALITGB2ICAM1RAB9APOLB

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
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed