SCHEMBL25231392

SCHEMBL25231392

CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCC/C=C\C/C=C\CCCCC)cc(C(=O)OCCCN(CC)CC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ THPO P40225 1/20 0.55
▸ MTOR P42345 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ESR1 P03372 4/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ CYP1A2 P05177 2/20 0.47
▸ SCN1A P35498 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ SCN2A Q99250 2/20 0.47
▸ SCN3A Q9NY46 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CHRM2 P08172 1/20 0.47

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
SCHEMBL25278732 0.89 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25283017 0.86 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25231397 0.86 ESR1 (0.52) PMP22ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL25285458 0.85 ESR1 (0.56) CYP3A4ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL16013155 0.82 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL17685778 0.82 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16013154 0.82 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16154819 0.82 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22503890 0.82 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25708309 0.82 ESR1 (0.50) PMP22ESR1AKR1C4AKR1C3AKR1C2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452930-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES Beam Therapeutics Inc. (US) 2024-10-30 — — EP disclosed
WO-2023121970-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES BEAM THERAPEUTICS INC. (US) 2023-06-29 — — WO disclosed
WO-2023121970-A1 IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES BEAM THERAPEUTICS INC. (US) 2023-06-29 — — WO disclosed
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