SCHEMBL29285355

SCHEMBL29285355

COC(=O)c1ccc(C(=O)OC)cc1.O=C(O)c1ccc(C(=O)OC2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 3/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
STS P08842 4/20 0.54
ALDH1A1 P00352 3/20 0.53
EPHX2 P34913 1/20 0.50
TSHR P16473 1/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 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
Methoxymethane SCHEMBL11310951 0.94 SMN1; SMN2 (0.57) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL3468810 0.94 SMN1; SMN2 (0.64) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL109428 0.92 SMN1; SMN2 (0.60) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL29446093 0.92 SMN1; SMN2 (0.61) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL31319176 0.90 STS (0.59) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL1976082 0.87 STS (0.55) SMN1; SMN2NPC1HTTRAB9ALMNA
Ethylene Glycol SCHEMBL27637889 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1HTTRAB9ALMNA
Benzoic Acid SCHEMBL27770133 0.85 MEN1 (0.58) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL110657 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1HTTRAB9ALMNA
Phenol SCHEMBL9725456 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HTTRAB9ALMNA

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
CN-118307111-A Method for removing microplastic and disperse dye in polyester fabric printing and dyeing wastewater 山东中康国创先进印染技术研究院有限公司 2024-07-09 CN disclosed