SCHEMBL28246773

SCHEMBL28246773

C=CCCC(C)=C(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
LSS P48449 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
SCHEMBL8767061 0.79 TSHR (0.42) ALDH1A1LMNAABCC4MAPTTSHR
SCHEMBL8767066 0.79 TSHR (0.42) ALDH1A1LMNAABCC4MAPTTSHR
SCHEMBL5313001 0.76
SCHEMBL8600826 0.76 ALDH1A1 (0.50) ALDH1A1MAPTTSHR
SCHEMBL8600822 0.76 ALDH1A1 (0.50) ALDH1A1MAPTTSHR
SCHEMBL31651200 0.76 TSHR (0.47) TSHR
SCHEMBL8072601 0.74
SCHEMBL1785866 0.72
SCHEMBL1785867 0.72
SCHEMBL28904231 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110200307-B Agilawood health-care cigarette and preparation method thereof 赣州市七道皇香药生物科技有限公司 2021-07-06 CN disclosed
CN-110200307-A A kind of health care agilawood cigarette and preparation method thereof 赣州市七道皇文化发展有限公司 2019-09-06 CN disclosed
CN-109294839-A A kind of natural perfume material health liquor and preparation method thereof 赣州市七道皇文化发展有限公司 2019-02-01 CN disclosed
CN-109259013-A A kind of pure natural spice beverage and preparation method thereof 赣州市七道皇文化发展有限公司 2019-01-25 CN disclosed
CN-108670912-A A kind of preparation method of pure natural spice Essence 赣州市七道皇文化发展有限公司 2018-10-19 CN disclosed