SCHEMBL18868626

SCHEMBL18868626

NO/N=C(/NCCF)NC(NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 2/20 0.53
▸ KYNU Q16719 1/20 0.34
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ITGB1 P05556 2/20 0.31
▸ ITGA5 P08648 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ ITGB2 P05107 1/20 0.31
▸ ICAM1 P05362 1/20 0.31
▸ ITGA4 P13612 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL18868542 0.88 ITGAL (0.54) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL10112626 0.83 ITGAL (0.65) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL23153599 0.82 ITGAL (0.64) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL18867996 0.81 ITGAL (0.53) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL22296845 0.80 ITGAL (0.64) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL13894422 0.79 ITGAL (0.65) ITGALITGB1ITGA5OPRK1ITGB2
SCHEMBL4926853 0.79 ITGAL (0.63) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL19157785 0.79 ITGAL (0.63) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL19158608 0.79 ITGAL (0.62) ITGALKYNUADRB1ADRB3ITGB1
SCHEMBL18883515 0.78 ITGAL (0.61) ITGALKYNUADRB1ADRB3ITGB1

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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