SCHEMBL6317415

SCHEMBL6317415

C=C(C(=O)N1CCC(C(=O)O)CC1)c1ccc(Sc2ccccc2OC)c(Cl)c1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.70
ITGB2 P05107 16/20 0.70
ICAM1 P05362 16/20 0.70
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6198270 0.92 ITGAL (0.66) ITGALITGB2ICAM1KMT2AKDM4E
SCHEMBL6196883 0.89 ITGB2 (0.56) ITGALITGB2ICAM1KMT2AKDM4E
SCHEMBL6199010 0.89 ITGAL (0.64) ITGALITGB2ICAM1KMT2A
SCHEMBL6199611 0.83 ITGB2 (0.52) ITGALITGB2ICAM1KDM4ELMNA
SCHEMBL6317425 0.82 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6308508 0.82 ITGAL (0.55) ITGALITGB2ICAM1MAPT
SCHEMBL6199576 0.81 ITGAL (0.61) ITGALITGB2ICAM1
SCHEMBL6199026 0.80 ITGAL (0.52) ITGALITGB2ICAM1KMT2A
SCHEMBL6199566 0.78 ITGAL (0.51) ITGALITGB2ICAM1MAPT
SCHEMBL6197126 0.77 ITGAL (0.50) ITGALITGB2ICAM1KMT2A

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