SCHEMBL31493758

SCHEMBL31493758

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCN1CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PRKCA P17252 3/20 0.48
▸ PRKCE Q02156 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ PRKCD Q05655 1/20 0.48
▸ DGKA P23743 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LPAR6 P43657 1/20 0.45
▸ LPAR1 Q92633 1/20 0.45
▸ LPAR4 Q99677 1/20 0.45

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
SCHEMBL31493605 0.92 DGKA (0.56) TDP1PRKCAPRKCEPRKCQPRKCD
SCHEMBL31493636 0.91 CYP3A4 (0.47) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL31493599 0.89 CYP3A4 (0.52) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL31438737 0.85 ALDH1A1 (0.56) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL31493737 0.85 ALDH1A1 (0.47) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL16841099 0.84 FAAH (0.54) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL31493769 0.83 CYP3A4 (0.52) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL16826134 0.83 FAAH (0.53) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL17440360 0.83 FAAH (0.53) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL31493756 0.83 DGKA (0.49) TDP1PRKCAPRKCEPRKCQPRKCD

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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