SCHEMBL4629606

SCHEMBL4629606

COC(C)=C(OC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SRC P12931 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9311224 0.85 TSHR (0.52) TSHRSRCCES2CES1HPGD
SCHEMBL1603720 0.85 TSHR (0.56) TSHRSRCCES2CES1HPGD
SCHEMBL4019330 0.85 TSHR (0.56) TSHRSRCCES2CES1HPGD
SCHEMBL10873087 0.85 TSHR (0.56) TSHRSRCCES2CES1HPGD
SCHEMBL9204618 0.80 TSHR (0.44) TSHRSRCCES2CES1HPGD
SCHEMBL5080161 0.78 TSHR (0.50) TSHRSRCCES2CES1HPGD
SCHEMBL18772417 0.78 TSHR (0.50) TSHRSRCCES2CES1HPGD
SCHEMBL4797237 0.78 TSHR (0.50) TSHRSRCCES2CES1HPGD
SCHEMBL263164 0.76 TSHR (0.54) TSHRSRCCES2CES1HPGD
SCHEMBL8975525 0.76 TSHR (0.54) TSHRSRCCES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108753912-B High-throughput screening method for trans-anethole oxygenase mutant, mutant strain and mutant 江南大学 2021-08-24 CN disclosed
CN-108795889-B Trans-anethol oxygenase mutant and mutant strain 江南大学 2021-04-20 CN disclosed
CN-108753743-B Trans-anethole oxygenase mutants and mutants 江南大学 2020-11-03 CN disclosed
CN-108753742-B Trans-anethole oxygenase mutant and mutant strain thereof 江南大学 2020-11-03 CN disclosed
US-20080279791-A1 Use of Isoeugenol Methyl Ester as an Agent Against Bad Breath SYMRISE GMBH & CO. KG (DE) 2008-11-13 US disclosed
EP-1919284-A1 USE OF ISOEUGENOL METHYL ETHER AS AN AGENT AGAINST BAD BREATH Symrise GmbH & Co. KG (DE) 2008-05-14 EP disclosed
WO-2006032664-A1 USE OF ISOEUGENOL METHYL ETHER AS AN AGENT AGAINST BAD BREATH SYMRISE GMBH & CO. KG (DE) 2006-03-30 WO disclosed