SCHEMBL18362419

SCHEMBL18362419

O=C(N[C@@H](CNC(O)c1cccs1)C(=O)O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.78
▸ ICAM1 P05362 20/20 0.78
▸ ITGAL P20701 20/20 0.78

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
SCHEMBL13658128 0.88 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13665300 0.85 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL18868483 0.84 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL18868522 0.81 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL12412258 0.81 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL12506985 0.81 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL18885575 0.81 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL18867795 0.81 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL25912527 0.81 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL13813575 0.81 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-2209371-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE BIOSCIENCE INC (US) 2017-01-04 — — EP disclosed
Send feedback