SCHEMBL12650302

SCHEMBL12650302

CCC(C)(CC)CCOC(=O)CCN1CCN(CCC(=O)OCCC(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL14472607 0.86 — —
SCHEMBL12181288 0.84 CHRM1 (0.33) ALDH1A1L3MBTL1
SCHEMBL10074652 0.83 CYP19A1 (0.35) ALDH1A1L3MBTL1CYP19A1
SCHEMBL12844635 0.81 CYP19A1 (0.41) ALDH1A1L3MBTL1CYP19A1
SCHEMBL12863838 0.77 TP53 (0.47) ALDH1A1L3MBTL1CYP19A1
SCHEMBL13730333 0.76 SMN1; SMN2 (0.30) —
SCHEMBL14286498 0.75 APEX1 (0.34) —
SCHEMBL12009951 0.75 ARG1 (0.31) —
SCHEMBL12863834 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1
SCHEMBL19102455 0.74 SMN1; SMN2 (0.36) ALDH1A1

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
US-7943179-B2 Drug delivery particle; useful in genetic vaccination; eg poly(beta-amino esters) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-17 — — US disclosed
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