SCHEMBL31409750

SCHEMBL31409750

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCn1cc(COc2cccc(OCc3cn(CCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)nn3)c2-c2c3nc(cc4ccc([nH]4)c(-c4c(OCc5cn(CCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)nn5)cccc4OCc4cn(CCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)nn4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)nn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 10/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ FFAR1 O14842 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CYBB P04839 1/20 0.33
▸ NOX5 Q96PH1 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32

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
SCHEMBL31409751 0.92 NCF1 (0.34) NCF1DRD2DRD4DRD3FFAR1
SCHEMBL31409748 0.90 NCF1 (0.44) NCF1DRD2DRD4DRD3FFAR1
SCHEMBL31409742 0.89 NCF1 (0.33) NCF1DRD2DRD4DRD3GSK3B
SCHEMBL31409743 0.86 NCF1 (0.44) NCF1DRD2DRD4DRD3CYBB
SCHEMBL31409752 0.82 NCF1 (0.38) NCF1DRD2DRD4DRD3FFAR1
SCHEMBL31409741 0.74 NCF1 (0.41) NCF1DRD2DRD4DRD3CYBB
SCHEMBL5100067 0.69 STAT3 (0.47) STAT3STAT1
SCHEMBL30733335 0.68 STAT3 (0.47) STAT3STAT1
SCHEMBL31409740 0.64 STAT3 (0.49) PARP1STAT3STAT1
Zinc Ion SCHEMBL31409747 0.63 STAT3 (0.48) PARP1STAT3STAT1

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-4735535-A2 COMPOUNDS INCLUDING A WATER-SOLUBILIZATION MOTIF AND METHODS OF USE THEREOF North Carolina State University (US) 2026-05-06 — — EP disclosed
WO-2025006450-A2 COMPOUNDS INCLUDING A WATER-SOLUBILIZATION MOTIF AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2025-01-02 — — WO disclosed
Send feedback