SCHEMBL28575606

SCHEMBL28575606

CC1(C)C(=O)OOc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
PDK4 Q16654 1/20 0.39
PGR P06401 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL377211 0.81 PDK2 (0.41) PDK2PDK4PGRHTTSMN1; SMN2
SCHEMBL9854613 0.72 PDK2 (0.41) PDK2PDK4PGRHTTSMN1; SMN2
SCHEMBL29360424 0.70 ALOX5 (0.44) PDK2PDK4HTTSMN1; SMN2MEN1
SCHEMBL47009 0.70 ALOX5 (0.44) PDK2PDK4HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL10624869 0.69 ALOX5 (0.42) PDK2PDK4HTTSMN1; SMN2MEN1
SCHEMBL31243239 0.69 ALOX5 (0.42) PDK2PDK4HTTSMN1; SMN2MEN1
Phosphine SCHEMBL17530281 0.69 ALOX5 (0.42) PDK2PDK4HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL10624875 0.69 ALOX5 (0.42) PDK2PDK4HTTSMN1; SMN2MEN1
SCHEMBL9418987 0.68
SCHEMBL7982101 0.67 ALOX15 (0.46) PDK2PDK4PGRSMN1; SMN2MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727914-A Product for the indirect transfer of a cosmetic active to the skin 西姆莱斯股份公司 2022-07-08 CN disclosed
CN-114364773-A Aromatic oil mixture 西姆莱斯股份公司 2022-04-15 CN disclosed
CN-114126579-A Mixture of beeswax and lactoyl lactate 西姆莱斯股份公司 2022-03-01 CN disclosed
CN-113993500-A Cool preparation 德国德之馨香精香料公司 2022-01-28 CN disclosed
CN-113891750-A Method for improving performance of spice or spice mixture 西姆莱斯股份公司 2022-01-04 CN disclosed
CN-113766911-A Plant peptides and uses thereof (II) 西姆莱斯股份公司 2021-12-07 CN disclosed
CN-113710331-A Antimicrobial mixture 西姆莱斯股份公司 2021-11-26 CN disclosed
CN-113543637-A Antimicrobial mixture 西姆莱斯股份公司 2021-10-22 CN disclosed
CN-113226267-A Hair care composition 西姆莱斯股份公司 2021-08-06 CN disclosed
CN-113164792-A Liquid transparent mixtures of UV filters 西姆莱斯股份公司 2021-07-23 CN disclosed
CN-112955230-A A method for resisting female body odor 西姆莱斯股份公司 2021-06-11 CN disclosed