SCHEMBL6310641

SCHEMBL6310641

C=C(C(=O)NCCCN1CCCC1=O)c1ccc(Sc2ccc3c(c2)CCOO3)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.48
ICAM1 P05362 7/20 0.48
ITGAL P20701 7/20 0.48
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6310390 0.89 ITGB2 (0.44) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6311335 0.88 ITGB2 (0.46) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6309482 0.88 ITGB2 (0.43) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL5830523 0.81 ITGB2 (0.65) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6196917 0.81 ITGB2 (0.49) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL6198619 0.78 ITGB2 (0.57) ITGB2ICAM1ITGALSMN1; SMN2RAB9A
SCHEMBL5830251 0.76 ITGB2 (0.68) ITGB2ICAM1ITGALSMN1; SMN2RAB9A
SCHEMBL5829927 0.76 ITGB2 (0.68) ITGB2ICAM1ITGALHPGDSMN1; SMN2
SCHEMBL5830329 0.74 ITGB2 (0.70) ITGB2ICAM1ITGALSMN1; SMN2RAB9A
SCHEMBL6199881 0.73 ITGAL (0.46) ITGB2ICAM1ITGAL

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