SCHEMBL18867795

SCHEMBL18867795

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

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.69
▸ ICAM1 P05362 19/20 0.69
▸ ITGAL P20701 19/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.51
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL13894063 0.91 ITGB2 (0.70) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL13665300 0.89 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868483 0.88 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868611 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL23176450 0.88 ITGB2 (0.56) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL13894108 0.85 ITGB2 (0.65) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL22296836 0.83 NPC1 (0.53) ITGB2ICAM1ITGAL
SCHEMBL18868522 0.83 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2C9
SCHEMBL17991448 0.83 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868524 0.82 ITGB2 (0.53) ITGB2ICAM1ITGALHDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3797775-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY Novartis AG (CH) 2021-03-31 — — EP disclosed
EP-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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