SCHEMBL24677813

SCHEMBL24677813

CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)c1ccc(Cn2c(=O)[nH]c3c(N)nc(OCCOC)nc32)cc1)OC(=O)CCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP3A5 P20815 2/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 0.85
TLR7 Q9NYK1 11/20 0.54
IL6 P05231 1/20 0.49
NUDT1 P36639 1/20 0.48

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
SCHEMBL15312497 1.00 CYP2E1 (1.00) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL24677703 1.00 CYP2E1 (1.00) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL15312402 0.99 CYP2E1 (0.99) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL823237 0.97 CYP2E1 (0.93) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL29795315 0.97 CYP2E1 (0.93) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL43957 0.97 CYP2E1 (0.93) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL43956 0.97 CYP2E1 (0.93) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL24677704 0.97 CYP2E1 (0.93) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL823185 0.94 CYP2E1 (0.89) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6
SCHEMBL10086290 0.90 CYP2E1 (0.82) CYP2E1CYP3A4CYP2C9CYP3A5CYP2D6

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
WO-2024083959-A1 PRE-MEDICATION AND IMPROVED TREATMENT REGIMEN MONTA BIOSCIENCES APS (DK) 2024-04-25 WO disclosed
WO-2022200553-A2 IMMUNE STIMULATING NANOPARTICLE COMPOSITION DANMARKS TEKNISKE UNIVERSITET (DK) 2022-09-29 WO disclosed