SCHEMBL22296880

SCHEMBL22296880

C/N=C(/NCC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)N1CC[C@H](O)C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.69
▸ ICAM1 P05362 20/20 0.69
▸ ITGAL P20701 20/20 0.69

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
SCHEMBL12188701 0.95 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL25912347 0.94 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL18868110 0.93 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL12169799 0.93 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL25912527 0.91 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL25912577 0.90 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL23992593 0.89 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL12188703 0.87 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL23153603 0.87 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL4755948 0.87 ITGB2 (0.66) ITGB2ICAM1ITGAL

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-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
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