SCHEMBL27725698

SCHEMBL27725698

CC(=O)OC1(C)Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.37
HDAC9 Q9UKV0 1/20 0.37
LMNA P02545 2/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MPI P34949 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL14658442 0.82 ELANE (0.41) POLBL3MBTL1NOTUMALDH1A1GAA
SCHEMBL25490557 0.81 ELANE (0.40) POLBL3MBTL1HDAC9LMNABRD4
SCHEMBL28387398 0.80 NOTUM (0.37) POLBNOTUMALDH1A1GAALMNA
SCHEMBL28424433 0.79 OPRM1 (0.43) POLBL3MBTL1ALDH1A1GAALMNA
SCHEMBL7390557 0.78 NOTUM (0.38) POLBL3MBTL1NOTUMALDH1A1GAA
SCHEMBL14665459 0.78 POLB (0.36) POLBL3MBTL1HDAC9LMNABRD4
Hydrochloric Acid SCHEMBL27706258 0.77 GAA (0.38) POLBL3MBTL1NOTUMALDH1A1GAA
SCHEMBL15958398 0.74 RIPK1 (0.40) POLBL3MBTL1ALDH1A1GAALMNA
SCHEMBL14665566 0.73 ALDH1A1 (0.38) POLBL3MBTL1ALDH1A1GAALMNA
SCHEMBL8114506 0.72 NOTUM (0.43) POLBL3MBTL1NOTUMALDH1A1HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116807912-A Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-09-29 CN claimed
CN-116807912-A Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-09-29 CN disclosed
CN-111432851-B Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-06-23 CN disclosed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 CN disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN disclosed
CN-101331120-A Phenolic ether compounds as opioid receptor modulators SMITHKLINE BEECHAM CORP (US) 2008-12-24 CN disclosed