SCHEMBL7065452

SCHEMBL7065452

C=C(C(=O)N1CCOCC1)c1ccc(Sc2ccccc2OCCCC)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.51
ITGB2 P05107 16/20 0.51
ICAM1 P05362 16/20 0.51
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL6316116 0.87 ITGAL (0.46) ITGALITGB2ICAM1NPSR1
SCHEMBL6919945 0.85 ITGAL (0.48) ITGALITGB2ICAM1NPSR1MEN1
SCHEMBL7065475 0.84 ITGB2 (0.52) ITGALITGB2ICAM1
SCHEMBL6310230 0.81 ITGB2 (0.44) ITGALITGB2ICAM1MEN1KMT2A
SCHEMBL6197120 0.76 ITGAL (0.47) ITGALITGB2ICAM1MEN1KMT2A
SCHEMBL6194905 0.76 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL6312268 0.75 ITGB2 (0.48) ITGALITGB2ICAM1
SCHEMBL6198270 0.74 ITGAL (0.66) ITGALITGB2ICAM1NPSR1KMT2A
SCHEMBL6312033 0.73 ITGB2 (0.51) ITGALITGB2ICAM1
SCHEMBL6312040 0.72 ITGAL (0.47) ITGALITGB2ICAM1NPSR1MEN1

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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed