SCHEMBL8733965

SCHEMBL8733965

COc1cc(COP(=O)(O)O)ccc1O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PTPN1 P18031 2/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MAPK1 P28482 1/20 0.53
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
ALOX5 P09917 2/20 0.50
CYP3A4 P08684 2/20 0.50

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
SCHEMBL8734316 0.98 TSHR (0.55) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL28943838 0.87 TSHR (0.50) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL27792356 0.85 CA2 (0.53) TSHRALDH1A1GAALMNAALOX15
Potassium Ion SCHEMBL28478855 0.85 TSHR (0.51) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL8733969 0.85 TSHR (0.51) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL9329293 0.84 TSHR (0.54) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL2350254 0.83 TAAR1 (0.59) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL8729251 0.79 TSHR (0.48) TSHRALDH1A1PTPN1GAANFKB1
SCHEMBL29175207 0.78 TSHR (0.62) TSHRALDH1A1PTPN1GAANFKB1
Vanillyl Alcohol SCHEMBL34465499 0.78 TSHR (0.54) TSHRALDH1A1PTPN1GAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845217-A1 Inhibiting undesirable taste in oral compositions THE PROCTER & GAMBLE COMPANY (US) 1998-06-03 EP claimed
EP-0845217-A1 Inhibiting undesirable taste in oral compositions THE PROCTER & GAMBLE COMPANY (US) 1998-06-03 EP disclosed