SCHEMBL4922611

SCHEMBL4922611

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 1/20 0.62
▸ ITGB1 P05556 12/20 0.36
▸ ITGA5 P08648 9/20 0.36
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ ITGA4 P13612 4/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ ITGAV P06756 3/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ SPR P35270 1/20 0.32
▸ ITGB7 P26010 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
SCHEMBL12054488 1.00 ITGAL (0.62) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL19157561 1.00 ITGAL (0.62) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL16307471 0.96 ITGAL (0.57) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL12169844 0.93 ITGAL (0.63) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL12415082 0.92 ITGAL (0.63) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL4926853 0.92 ITGAL (0.63) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL19157785 0.92 ITGAL (0.63) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL18868629 0.88 ITGAL (0.62) ITGALITGB1ITGA5ADRB1ADRB3
SCHEMBL15726720 0.88 ITGAL (0.56) ITGALITGB1ITGA5APLNRITGA4
SCHEMBL23992520 0.87 ITGAL (0.61) ITGALITGB1ITGA5ADRB1ADRB3

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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