SCHEMBL10706342

SCHEMBL10706342

CCCCC(CC)C(=O)Oc1coc(/C=C/c2ccc(OC)cc2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
APP P05067 6/20 0.43
HRH3 Q9Y5N1 5/20 0.43
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL10706345 1.00 TDP1 (0.45) TDP1TAS1R3TAS1R1APPHRH3
SCHEMBL17138167 0.73 GAA (0.56) TDP1TAS1R3TAS1R1NPSR1GAA
SCHEMBL10705151 0.72 APP (0.57) APPHRH3
SCHEMBL9637404 0.71 APP (0.70) APPHRH3MAPTHPGDKDM4E
SCHEMBL9637407 0.71 APP (0.70) APPHRH3MAPTHPGDKDM4E
SCHEMBL17138171 0.70 GAA (0.49) TDP1NPSR1GAAXBP1ATM
SCHEMBL6990016 0.69 TOP2A (0.47) APPNPSR1GAAXBP1ATM
4-Methoxycinnamic Acid SCHEMBL11270862 0.68 TDP1 (0.62) TDP1TAS1R3TAS1R1GAAATM
4-Methoxycinnamic Acid SCHEMBL28527848 0.68 THRB (0.62) TDP1TAS1R3TAS1R1ATMSMN1; SMN2
4-Methoxycinnamic Acid SCHEMBL1463076 0.68 THRB (0.62) TDP1TAS1R3TAS1R1ATMSMN1; SMN2

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
JP-63277670-A None JP disclosed
JP-S63277670-A ESTERIFIED PRODUCTION OF 5-HYDROXY-2-STYRYL-4-PYRONE DERIVATIVE PIASUARAIZU KK 1988-11-15 JP disclosed