SCHEMBL18868542

SCHEMBL18868542

O=C(NC(N/C(=N\C1C=C1)NCCF)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 1/20 0.54
▸ KYNU Q16719 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ SLC16A3 O15427 1/20 0.30
▸ ADRB1 P08588 2/20 0.30
▸ ADRB3 P13945 2/20 0.30

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
SCHEMBL18868626 0.88 ITGAL (0.53) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL10112626 0.82 ITGAL (0.65) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL18883796 0.82 ITGAL (0.61) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL23153599 0.81 ITGAL (0.64) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL22296845 0.80 ITGAL (0.64) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL18867996 0.80 ITGAL (0.53) ITGALKYNUOPRK1ITGB1ADRB1
SCHEMBL4926853 0.80 ITGAL (0.63) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL13894422 0.80 ITGAL (0.65) ITGALOPRK1ITGB1ITGA4SLC16A3
SCHEMBL19157785 0.80 ITGAL (0.63) ITGALKYNUOPRK1ITGB1ITGA4
SCHEMBL19158608 0.79 ITGAL (0.62) ITGALKYNUOPRK1ITGB1ITGA4

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
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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