SCHEMBL13894063

SCHEMBL13894063

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

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 18/20 0.70
▸ ICAM1 P05362 18/20 0.70
▸ ITGAL P20701 18/20 0.70
▸ ALDH1A1 P00352 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL18867795 0.91 ITGB2 (0.69) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL18868483 0.89 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13665300 0.88 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868611 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALHDAC6CYP2C9
SCHEMBL13894109 0.87 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL17991448 0.85 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894108 0.84 ITGB2 (0.65) ITGB2ICAM1ITGALALDH1A1HDAC6
SCHEMBL18868521 0.84 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16852208 0.84 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756060 0.84 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9

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 4 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-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
EP-2209371-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE BIOSCIENCE INC (US) 2017-01-04 — — EP disclosed
WO-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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