SCHEMBL4600241

SCHEMBL4600241

CC[C@]1(C)O[C@@]1(C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MITF O75030 2/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL320552 1.00 HCAR3 (0.40) HCAR3HCAR2CES2CES1CYP1A2
SCHEMBL29992337 0.81 TSHR (0.39) CYP1A2TP53TSHRMEN1KMT2A
SCHEMBL11016310 0.79 AKR1C1 (0.41) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL320551 0.76 HCAR3 (0.41) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL19809338 0.72 MEN1 (0.36) HCAR3HCAR2CYP1A2MAPTTP53
SCHEMBL9817499 0.71 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL10795202 0.71 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL27320951 0.69 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL9692257 0.69 MEN1 (0.45) HCAR3HCAR2MAPTTSHRMEN1
SCHEMBL11211886 0.69 AKR1C1 (0.33) HCAR3HCAR2CYP1A2AKR1C1

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-1909599-A1 USE OF HESPERETIN FOR ENHANCING THE SWEET TASTE Symrise GmbH & Co. KG (DE) 2008-04-16 EP claimed
WO-2007014879-A1 USE OF HESPERETIN FOR ENHANCING THE SWEET TASTE SYMRISE GMBH & CO. KG (DE) 2007-02-08 WO claimed