SCHEMBL29690112

SCHEMBL29690112

O=P(O)(O)N(c1ccccc1)C1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.41
HRAS P01112 1/20 0.40
HK1 P19367 2/20 0.40
HK2 P52789 2/20 0.40
SLC5A2 P31639 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LGALS9 O00182 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS3 P17931 1/20 0.38
LGALS7; LGALS7B P47929 1/20 0.38

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
SCHEMBL31572016 0.82 MMP12 (0.39) MMP12HRASHK1HK2LGALS9
SCHEMBL27566400 0.73 LGALS1 (0.38) LGALS9LGALS1LGALS3
SCHEMBL9194230 0.72 MMP12 (0.47) MMP12HRAS
SCHEMBL263893 0.72 CDA (0.34) RAB9ALGALS1LGALS3
SCHEMBL16501359 0.71 MMP12 (0.41) MMP12HRASSLC5A2NPC1RAB9A
SCHEMBL28315414 0.69 MMP12 (0.33) MMP12HK1HK2LGALS9LGALS1
SCHEMBL9399387 0.69 NPC1 (0.53) MMP12HRASSLC5A2NPC1RAB9A
SCHEMBL10598101 0.69 HRAS (0.47) MMP12HRASSLC5A2
SCHEMBL10598108 0.69 HRAS (0.47) MMP12HRASSLC5A2
SCHEMBL30628545 0.68 LGALS1 (0.34) MMP12LGALS9LGALS1LGALS3

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-114574517-A Plasmid kit for saccharomyces cerevisiae multicopy integration 江南大学 2022-06-03 CN disclosed