SCHEMBL18868064

SCHEMBL18868064

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN3C(=O)c2cc3ccccc3[nH]2)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 16/20 0.58
▸ ICAM1 P05362 16/20 0.58
▸ ITGAL P20701 16/20 0.58
▸ CYP2C9 P11712 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP51A1 Q16850 1/20 0.42
▸ CCKAR P32238 1/20 0.42
▸ CCKBR P32239 1/20 0.42

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
SCHEMBL10129729 0.88 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9HDAC6
SCHEMBL18867798 0.80 ITGB2 (0.62) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12054462 0.78 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755918 0.77 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL28730926 0.77 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9HDAC6
SCHEMBL28730924 0.77 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9HDAC6
SCHEMBL19157809 0.76 ITGB2 (0.76) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833626 0.76 ITGB2 (0.76) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868628 0.76 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19158574 0.76 ITGB2 (0.73) 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 2 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
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