SCHEMBL31323829

SCHEMBL31323829

CCCCCCCCC(CCCCCC)COC(=O)CCCCC(CCCCC(=O)OC1CCCCCCCCCCCCCC1)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.41
▸ PPARG P37231 2/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ CNR2 P34972 4/20 0.32
▸ FAAH O00519 2/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ BCHE P06276 2/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ TLR2 O60603 3/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL31323833 0.90 NAAA (0.38) NAAATBXA2RCYP3A4
SCHEMBL31323834 0.86 NAAA (0.40) NAAAPPARGTBXA2RCNR2PRSS1
SCHEMBL30842640 0.81 TLR2 (0.42) TLR2
SCHEMBL31323846 0.81 KLK7 (0.40) NAAACYP3A4TDP1BCHE
SCHEMBL30977760 0.80 — —
SCHEMBL30837885 0.80 TLR2 (0.34) PPARGCNR2EPHX2BCHEPPARA
SCHEMBL31323861 0.78 TDP1 (0.35) NAAACYP3A4TDP1BCHETLR2
SCHEMBL30900168 0.78 PPARG (0.35) PPARGEPHX2PPARATLR2SIRT2
SCHEMBL31323821 0.78 CHRM2 (0.35) EPHX2CYP3A4
SCHEMBL31323934 0.78 CHRM2 (0.35) EPHX2CYP3A4

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
WO-2025035202-A1 IONIZABLE LIPIDS COMPRISING MACROCYCLIC RINGS FOR THE DELIVERY OF THERAPEUTIC AGENTS NANOVATION THERAPEUTICS INC. (CA) 2025-02-20 — — WO disclosed
Send feedback