SCHEMBL6490194

SCHEMBL6490194

C=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C(=O)C(=O)OC)c1ccc(Sc2ccccc2C(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.54
ICAM1 P05362 18/20 0.54
ITGAL P20701 18/20 0.54
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 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
SCHEMBL6197157 0.93 ITGB2 (0.55) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6200179 0.91 ITGB2 (0.60) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6197412 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6201317 0.87 ITGB2 (0.70) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6194824 0.87 ITGB2 (0.62) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6197324 0.86 ITGB2 (0.52) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6201823 0.85 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL7617894 0.84 ITGB2 (0.42) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6199489 0.84 ITGB2 (0.48) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6198855 0.83 ITGB2 (0.48) ITGB2ICAM1ITGALALDH1A1

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
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed