SCHEMBL31493571

SCHEMBL31493571

CCCCCCCCCOC(=O)CCCCC(=O)OCC(COC(=O)CCCN1CC(O)C1)COC(=O)C(CCCCCC)CCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DGKA P23743 1/20 0.42
▸ PLA2G2A P14555 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ P2RY10 O00398 3/20 0.38
▸ PRKCA P17252 1/20 0.38

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
SCHEMBL31493673 0.96 CYP3A4 (0.42) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493682 0.93 CYP3A4 (0.46) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493551 0.90 DGKA (0.48) TDP1DGKAPRKCAPRKCEPRKCQ
SCHEMBL31493678 0.90 CYP3A4 (0.41) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493737 0.88 ALDH1A1 (0.47) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493769 0.86 CYP3A4 (0.52) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493744 0.86 CYP3A4 (0.44) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493781 0.84 ALDH1A1 (0.47) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493606 0.83 CYP3A4 (0.44) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31493607 0.82 DGKA (0.54) TDP1DGKAPRKCAPRKCEPRKCQ

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-2025076049-A1 LIPID COMPOUNDS, LIPID NANOPARTICLES, AND PHARMACEUTICAL COMPOSITIONS BROADPHARM INC. (US) 2025-04-10 — — WO claimed
WO-2025076049-A1 LIPID COMPOUNDS, LIPID NANOPARTICLES, AND PHARMACEUTICAL COMPOSITIONS BROADPHARM INC. (US) 2025-04-10 — — WO disclosed
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