SCHEMBL1820344

SCHEMBL1820344

CC(C)OC1CCc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
HTR1A P08908 6/20 0.37
SIGMAR1 Q99720 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 4/20 0.36
SSTR4 P31391 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL28186842 0.83 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL27479914 0.81 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL3338829 0.81 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL29715788 0.81 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
Palmitic Acid SCHEMBL1816853 0.81 FFAR4 (0.38) TSHR
SCHEMBL27835408 0.78 CA2 (0.42) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL13528608 0.77 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6493103 0.74 GABRA1 (0.47) CA2SSTR4HPGDTSHRCHRM4
SCHEMBL31161149 0.74 CA2 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL13533399 0.74 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B

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-112566617-B cosmetic composition 博姿有限公司 2023-08-29 CN disclosed
WO-2022114681-A1 CLEANSER COMPOSITION WITH ENHANCED ACTIVE SUBSTANCE DELIVERY 주식회사 엘지생활건강 2022-06-02 WO disclosed
EP-3010481-A1 METHODS, COMPOSITIONS, AND KIT FOR WHITENING HYPER PIGMENTED SPOTS ON SKIN ELC Management LLC (US) 2016-04-27 EP disclosed
EP-2316416-B1 Skin-lightening cosmetic compound PM INT AG (LU) 2015-12-23 EP disclosed
WO-2014205113-A1 METHODS, COMPOSITIONS, AND KIT FOR WHITENING HYPER PIGMENTED SPOTS ON SKIN ELC MANAGEMENT LLC (US) 2014-12-24 WO disclosed
EP-2316416-A1 Skin-lightening cosmetic compound PM-International AG (LU) 2011-05-04 EP disclosed