SCHEMBL29065683

SCHEMBL29065683

O=C(O)OCCCCCCNCCO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 5/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28699366 1.00 TP53 (0.45) TP53ALOX15NPC1HTTRAB9A
SCHEMBL27101584 1.00 TP53 (0.45) TP53ALOX15NPC1HTTRAB9A
SCHEMBL29065680 0.86 TP53 (0.46) TP53ALOX15NPC1HTTRAB9A
SCHEMBL28699364 0.86 TP53 (0.46) TP53ALOX15NPC1HTTRAB9A
SCHEMBL26185747 0.86 TP53 (0.46) TP53ALOX15NPC1HTTRAB9A
SCHEMBL9817079 0.83 SMN1; SMN2 (0.41) TP53ALOX15NPC1HTTRAB9A
SCHEMBL29172382 0.82 EPHX1 (0.40) ALDH1A1ACHE
Ethylene Glycol SCHEMBL28168751 0.80 ALDH1A1 (0.42) ALDH1A1ACHE
SCHEMBL628079 0.78 ACHE (0.47) ALDH1A1ACHE
SCHEMBL1505795 0.78 ACHE (0.47) ALDH1A1ACHE

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
CN-116782913-A Nanomaterials comprising acetals 比姆医疗股份有限公司 2023-09-19 CN disclosed
CN-116685332-A Nanomaterial comprising carbonate 比姆医疗股份有限公司 2023-09-01 CN disclosed