SCHEMBL8768288

SCHEMBL8768288

C[C@H]1CCO[C@@H](c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CYP2C19 P33261 2/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8768251 1.00 TSHR (0.48) TSHRSLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL26966000 1.00 TSHR (0.48) TSHRSLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL1396587 1.00 TSHR (0.48) TSHRSLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL8768256 1.00 TSHR (0.48) TSHRSLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL18387696 1.00 TSHR (0.48) TSHRSLC6A2SLC6A3ADRA1AHTR2B
Water SCHEMBL28267798 0.98 TSHR (0.47) TSHRSLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL28279521 0.84 TSHR (0.35) TSHRSLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL19090156 0.81 BACE1 (0.38) SLC6A2SLC6A3HTR2BSLC6A4
SCHEMBL14731081 0.81 SLC6A2 (0.40) TSHRSLC6A2SLC6A3HTR2BCYP2C19
SCHEMBL28253071 0.81 SLC6A4 (0.31) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161476-A1 COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF SWEAT MALODOR Firmenich SA (CH) 2023-04-12 EP claimed
WO-2022084548-A1 COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF SWEAT MALODOR FIRMENICH SA (CH) 2022-04-28 WO claimed
EP-0581052-B1 Use of tetrahydro-4-methyl-2-phenyl-2h-pyran as perfuming ingredient FIRMENICH & CIE (CH) 1997-09-03 EP claimed
EP-0581052-A1 Use of tetrahydro-4-methyl-2-phenyl-2h-pyran as perfuming ingredient FIRMENICH SA (CH) 1994-02-02 EP claimed
US-5219836-A Green, rose oxide odor FIRMENICH SA (CH) 1993-06-15 US claimed
US-20230404887-A1 COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF SWEAT MALODOR FIRMENICH SA (CH) 2023-12-21 US disclosed
EP-4161476-A1 COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF SWEAT MALODOR Firmenich SA (CH) 2023-04-12 EP disclosed
WO-2022084548-A1 COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF SWEAT MALODOR FIRMENICH SA (CH) 2022-04-28 WO disclosed
US-5219836-A Green, rose oxide odor FIRMENICH SA (CH) 1993-06-15 US disclosed