SCHEMBL6568425

SCHEMBL6568425

CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(Sc3cccc(N4CCOCC4)c3)c(Cl)c2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 14/20 0.57
ICAM1 P05362 14/20 0.57
ITGAL P20701 14/20 0.57
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LGMN Q99538 1/20 0.46
ENPP2 Q13822 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL6568313 0.88 ITGAL (0.68) ITGB2ICAM1ITGAL
SCHEMBL6570043 0.86 ITGB2 (0.45) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6317517 0.86 ITGB2 (0.45) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6567825 0.86 ITGAL (0.54) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6315913 0.86 ITGAL (0.54) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6311347 0.85 ITGAL (0.65) ITGB2ICAM1ITGAL
SCHEMBL6201628 0.83 LGMN (0.47) ITGB2ICAM1ITGALKDM4ESMN1; SMN2
SCHEMBL6199004 0.83 ITGAL (0.77) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6201623 0.81 RAB9A (0.47) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6568429 0.80 ITGAL (0.59) ITGB2ICAM1ITGAL

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-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed