SCHEMBL31305357

SCHEMBL31305357

O=C(Cc1ccc(O)cc1)NCCCN1CCN(CCCNC(=O)Cc2ccc(O)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.76
▸ TRPV1 Q8NER1 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ ESRRB O95718 1/20 0.49
▸ ESRRG P62508 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ ADRA1B P35368 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
SCHEMBL16511225 0.88 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2GAAKMT2APOLB
SCHEMBL16511119 0.86 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2GAAKMT2APOLB
SCHEMBL10720789 0.86 ALDH1A1 (1.00) ALDH1A1TRPV1GAAPOLBADRA1D
SCHEMBL18086637 0.82 TRPV1 (0.77) TRPV1GAAESRRBESRRGHPGD
SCHEMBL10866776 0.81 ALDH1A1 (0.89) ALDH1A1TRPV1GAAADRA1DADRA1A
SCHEMBL31305358 0.81 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL5476362 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GAAKMT2APOLB
SCHEMBL14430765 0.80 KMT2A (0.64) ALDH1A1SMN1; SMN2GAAKMT2ACYP2D6
SCHEMBL12460078 0.78 POLB (0.65) ALDH1A1GAAKMT2APOLB
SCHEMBL14817986 0.78 POLB (0.85) ALDH1A1SMN1; SMN2KMT2APOLBADRA1D

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
EP-4739663-A1 IONIZABLE LIPIDS eTheRNA immunotherapies NV (BE) 2026-05-13 — — EP disclosed
WO-2025008510-A1 IONIZABLE LIPIDS ETHERNA IMMUNOTHERAPIES NV (BE) 2025-01-09 — — WO disclosed
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