Sugi Predict

Sugi Predict / Compounds / SCHEMBL6740148

SCHEMBL6740148

SCHEMBL6740148

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCC(CCOCCO)CC3)c(-c3ccc(Cl)cc3Cl)c2Cl)c(Cl)c1-c1ccc(Cl)cc1Cl)N1CCC(CCOCCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.44
▸ ITGAL P20701 14/20 0.43
▸ ITGB2 P05107 13/20 0.43
▸ ICAM1 P05362 13/20 0.43
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR2 P41597 1/20 0.38

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
SCHEMBL5830009 0.87 ITGAL (0.46) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL5830506 0.82 ITGAL (0.57) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL5830844 0.81 ITGAL (0.50) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL5830729 0.79 ITGAL (0.64) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL5830861 0.79 ITGAL (0.64) ENPP2ITGALITGB2ICAM1ALDH1A1
SCHEMBL5830872 0.75 ITGB2 (0.45) ENPP2ITGALITGB2ICAM1ALDH1A1
SCHEMBL5830895 0.72 ITGB2 (0.69) ITGALITGB2ICAM1ALDH1A1
SCHEMBL6740151 0.71 HTT (0.35) ITGALITGB2ICAM1ALDH1A1
SCHEMBL5830955 0.71 ITGB2 (0.66) ITGALITGB2ICAM1ALDH1A1
SCHEMBL5830306 0.71 ITGB2 (0.66) ITGALITGB2ICAM1

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