SCHEMBL7846850

SCHEMBL7846850

COCCOCc1ccc(OCc2cncc3sc(C(N)=O)cc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 19/20 0.74
SELE P16581 19/20 0.74
VCAM1 P19320 9/20 0.60
CCNC P24863 4/20 0.49
CDK8 P49336 4/20 0.49
CDC7 O00311 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
FYN P06241 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL7931907 0.91 ICAM1 (0.72) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053354 0.85 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7255481 0.84 ICAM1 (0.69) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7250679 0.81 ICAM1 (0.66) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7797352 0.79 ICAM1 (0.69) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7799359 0.77 ICAM1 (0.61) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7253069 0.77 ICAM1 (0.62) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7797360 0.75 ICAM1 (0.55) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056270 0.75 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7250734 0.75 ICAM1 (0.69) ICAM1SELEVCAM1CCNCCDK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO disclosed