SCHEMBL6221012

SCHEMBL6221012

CCOC(=O)C1CCN(C(=O)/C=C/c2cc[c]c(Cl)c2-c2ccc3c(ccn3C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.49
ICAM1 P05362 3/20 0.49
ITGAL P20701 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ENPP2 Q13822 2/20 0.48
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL6197641 0.86 ITGB2 (0.61) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6219767 0.84 NPC1 (0.47) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6219298 0.83 ITGAL (0.54) ITGB2ICAM1ITGALRAB9AENPP2
SCHEMBL6217580 0.80 ITGB2 (0.50) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL6196589 0.79 ITGB2 (0.53) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6196591 0.78 ITGAL (0.79) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL6199078 0.77 ITGB2 (0.52) ITGB2ICAM1ITGALKDM4EENPP2
SCHEMBL6219332 0.76 HTT (0.52) ITGB2ICAM1ITGALKDM4ESMN1; SMN2
SCHEMBL6197647 0.75 ITGAL (0.71) ITGB2ICAM1ITGALKDM4ENPC1
SCHEMBL7611771 0.75 ITGAL (0.71) ITGB2ICAM1ITGALKDM4ENPC1

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-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed