SCHEMBL6317425

SCHEMBL6317425

COc1ccccc1Sc1ccc(C=CC(=O)N2CCC(C(=O)O)CC2)c(C(F)(F)F)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 1.00
ITGB2 P05107 17/20 1.00
ICAM1 P05362 17/20 1.00

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
SCHEMBL6199465 0.92 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL7618530 0.90 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL6196889 0.90 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL4283189 0.89 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL4283196 0.89 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6200450 0.84 ITGAL (0.78) ITGALITGB2ICAM1
SCHEMBL6199620 0.82 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL6308519 0.82 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL6317415 0.82 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL6317417 0.82 ITGAL (0.69) 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 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