SCHEMBL6494072

SCHEMBL6494072

O=C(C=Cc1ccc(Sc2ccccc2Br)c(Cl)c1)N1CCCC(CCO)C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.50
ITGB2 P05107 19/20 0.50
ICAM1 P05362 19/20 0.50

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
SCHEMBL7619602 0.93 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL5829944 0.93 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL27492722 0.83 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL5830036 0.83 ITGAL (0.63) ITGALITGB2ICAM1
SCHEMBL27474411 0.81 ITGAL (0.60) ITGALITGB2ICAM1
SCHEMBL6199429 0.81 ITGAL (0.60) ITGALITGB2ICAM1
SCHEMBL6494066 0.80 AKR1C3 (0.40)
SCHEMBL7647365 0.79 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL5836088 0.79 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL6494064 0.79 ITGB2 (0.40) ITGALITGB2ICAM1

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 1 patent. 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 disclosed