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Sugi Predict / Compounds / SCHEMBL6310320

SCHEMBL6310320

SCHEMBL6310320

Cn1ccc2cc(-c3cc(Sc4cc(-c5ccc6c(ccn6C)c5)c(/C=C/C(=O)N5CCC(O)C(C(=O)O)C5)c(Cl)c4Cl)c(Cl)c(Cl)c3/C=C/C(=O)N3CCC(O)C(C(=O)O)C3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 9/20 0.51
▸ ICAM1 P05362 9/20 0.51
▸ ITGAL P20701 9/20 0.51
▸ CCNC P24863 4/20 0.41
▸ CDK8 P49336 4/20 0.41
▸ AR P10275 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FASN P49327 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ KDM1A O60341 1/20 0.31

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
SCHEMBL6197437 0.88 ITGAL (0.66) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6198429 0.87 ITGB2 (0.54) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6199405 0.85 ITGB2 (0.53) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6197403 0.83 ITGAL (0.55) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6310329 0.81 ITGAL (0.78) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6198445 0.81 ITGB2 (0.53) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6196589 0.81 ITGB2 (0.53) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6202870 0.80 ITGB2 (0.48) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6199336 0.80 HTT (0.51) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6502238 0.76 ITGB2 (0.40) ITGB2ICAM1ITGALCCNCCDK8

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 4 patents. 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 claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 — — US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 — — US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 — — US disclosed