SCHEMBL10112626

SCHEMBL10112626

N/N=C(/NCCF)NC[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 2/20 0.65
▸ ITGB1 P05556 7/20 0.37
▸ ITGA5 P08648 5/20 0.37
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ KYNU Q16719 1/20 0.35
▸ SLC16A3 O15427 1/20 0.34
▸ ITGA4 P13612 3/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGAV P06756 1/20 0.33
▸ HPGDS O60760 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32

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
SCHEMBL23153599 0.93 ITGAL (0.64) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL22296845 0.91 ITGAL (0.64) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL13894422 0.90 ITGAL (0.65) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL19157785 0.90 ITGAL (0.63) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL4926853 0.90 ITGAL (0.63) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL19158608 0.89 ITGAL (0.62) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL18885225 0.88 ITGAL (0.61) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL18883796 0.88 ITGAL (0.61) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL18883515 0.88 ITGAL (0.61) ITGALITGB1ITGA5ITGB2ICAM1
SCHEMBL19157989 0.83 ITGAL (0.54) ITGALITGB1ITGA5SLC16A3OPRK1

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-8168655-B2 Compositions and methods for treatment of eye disorders SARCODE BIOSCIENCE INC. (US) 2012-05-01 — — US disclosed
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