SCHEMBL31323830

SCHEMBL31323830

O=C(CCCCCOC(=O)C1CCCCCCCCCCCCCC1)CCCCCOC(=O)C1CCCCCCCCCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
FKBP1A P62942 4/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.37
NAAA Q02083 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TBXA2R P21731 1/20 0.34

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
SCHEMBL31323849 1.00 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL28099782 0.91 ALDH1A1 (0.46) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL13291850 0.89 ALDH1A1 (0.47) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL15935724 0.88 TBXA2R (0.44) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL12917478 0.86 ALDH1A1 (0.42) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL813168 0.85 ALDH1A1 (0.47) ALDH1A1FKBP1AMAPTL3MBTL1EPHX1
SCHEMBL5710073 0.82 NAAA (0.51) ALDH1A1EPHX2EPHX1NAAA
SCHEMBL31112594 0.82 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL9776380 0.82 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX2MAPTL3MBTL1
SCHEMBL21569213 0.82 NAAA (0.51) ALDH1A1EPHX2EPHX1NAAA

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