SCHEMBL31645488

SCHEMBL31645488

CCCCCCCC(CCCCCCC)C(=O)OCCCCCCCC1CNCC(CCCCCCCOC(=O)C(CCCCCCC)CCCCCCC)N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.39
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
NAAA Q02083 3/20 0.38
GBA1 P04062 1/20 0.36
EPHX1 P07099 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ACHE P22303 3/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL31645650 1.00 S1PR3 (0.39) S1PR3S1PR2S1PR4S1PR1S1PR5
SCHEMBL31645257 1.00 S1PR3 (0.39) S1PR3S1PR2S1PR4S1PR1S1PR5
SCHEMBL31645615 1.00 S1PR3 (0.39) S1PR3S1PR2S1PR4S1PR1S1PR5
SCHEMBL25757573 0.84 NAAA (0.38) NAAAGBA1EPHX1CA2ACHE
SCHEMBL31409863 0.81 GBA1 (0.54) NAAAGBA1EPHX1CA2ALDH1A1
SCHEMBL31645867 0.81 GBA2 (0.36) S1PR3S1PR2S1PR4S1PR1S1PR5
SCHEMBL296649 0.80 NAAA (0.55) NAAAEPHX1CA2ALDH1A1ACHE
SCHEMBL5179238 0.80 NAAA (0.55) NAAAEPHX1CA2ALDH1A1ACHE
SCHEMBL296648 0.80 NAAA (0.55) NAAAEPHX1CA2ALDH1A1ACHE
SCHEMBL730516 0.80 NAAA (0.55) NAAAEPHX1CA2ALDH1A1ACHE

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-2025134066-A1 IONIZABLE LIPIDS BIONTECH DELIVERY TECHNOLOGIES GMBH (DE) 2025-06-26 WO disclosed