SCHEMBL6309487

SCHEMBL6309487

O=C(C=Cc1ccc(Sc2ccc3c(c2)OCCO3)c(Cl)c1Cl)NCCCN1CCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.58
ICAM1 P05362 12/20 0.58
ITGAL P20701 12/20 0.58
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL6310646 0.88 ITGAL (0.72) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6311339 0.82 ITGAL (0.69) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6310393 0.82 ITGAL (0.58) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6317156 0.78 ITGB2 (0.66) ITGB2ICAM1ITGALSMN1; SMN2KDM4E
SCHEMBL6197072 0.77 ITGB2 (0.55) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL13879617 0.76 ITGB2 (0.60) ITGB2ICAM1ITGALSMN1; SMN2KDM4E
SCHEMBL5830524 0.75 ITGB2 (0.72) ITGB2ICAM1ITGALLMNARAB9A
SCHEMBL13879654 0.75 ITGAL (0.63) ITGB2ICAM1ITGALSMN1; SMN2ALDH1A1
SCHEMBL6310956 0.74 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL6198618 0.74 ITGB2 (0.63) ITGB2ICAM1ITGALSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
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