SCHEMBL25231397

SCHEMBL25231397

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.52
▸ AKR1C4 P17516 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ LMNA P02545 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ HTR2B P41595 1/20 0.48

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
SCHEMBL25708309 0.95 ESR1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25283017 0.95 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25278732 0.95 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16012945 0.89 ESR1 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16012946 0.89 ESR1 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25231392 0.86 CYP2D6 (0.55) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22503893 0.86 MGLL (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16013504 0.86 MGLL (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16013505 0.86 MGLL (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL25285458 0.86 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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
Send feedback