SCHEMBL6740147

SCHEMBL6740147

C=C(C(=O)N1CCC(CCOC(C)O)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.36
ICAM1 P05362 4/20 0.36
ITGAL P20701 4/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM2 P08172 1/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
RHEB Q15382 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
F10 P00742 4/20 0.33

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
SCHEMBL5830005 0.85 ITGAL (0.42) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6740151 0.85 HTT (0.35) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6740154 0.83 ITGAL (0.36) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL5830013 0.78 ITGAL (0.39) ITGB2ICAM1ITGALHRH3ALDH1A1
SCHEMBL5830504 0.78 MAPT (0.50) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL5830727 0.76 ITGAL (0.57) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL5830859 0.76 ITGAL (0.57) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL5830843 0.73 ALDH1A1 (0.46) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL5830012 0.72 TP53 (0.41) ITGB2ICAM1ITGALALDH1A1MEN1
SCHEMBL7849244 0.71 ITGAL (0.50) ITGB2ICAM1ITGALALDH1A1HPGD

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-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed