SCHEMBL6919945

SCHEMBL6919945

C=C(C(=O)N1CCOCC1)c1ccc(Sc2ccccc2OCCCC)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 7/20 0.48
ITGB2 P05107 6/20 0.48
ICAM1 P05362 6/20 0.48
THRB P10828 4/20 0.44
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 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
SCHEMBL6312040 0.86 ITGAL (0.47) ITGALITGB2ICAM1THRBNPSR1
SCHEMBL7065452 0.85 ITGAL (0.51) ITGALITGB2ICAM1NPSR1KMT2A
SCHEMBL6310206 0.84 ITGAL (0.45) ITGALITGB2ICAM1THRBNPSR1
SCHEMBL6530924 0.83 THRB (0.43) ITGALITGB2ICAM1THRBNPSR1
SCHEMBL7641650 0.82 ITGAL (0.43) ITGALITGB2ICAM1THRBKMT2A
SCHEMBL6309661 0.80 MGLL (0.44) ITGALITGB2ICAM1KMT2AMEN1
SCHEMBL6317717 0.80 ITGAL (0.43) ITGALITGB2ICAM1KMT2AMEN1
SCHEMBL6317025 0.80 ITGAL (0.43) ITGALITGB2ICAM1KMT2AMEN1
SCHEMBL6917200 0.79 ITGAL (0.42) ITGALITGB2ICAM1THRBKMT2A
SCHEMBL6199026 0.78 ITGAL (0.52) ITGALITGB2ICAM1KMT2AMEN1

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