SCHEMBL8937545

SCHEMBL8937545

C=CCOC(=O)C(CCC)C(=O)OCC=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 3/20 0.37
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 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
SCHEMBL28248732 0.92 TSHR (0.44) TSHRTDP1CYP3A4HPGDMAPT
SCHEMBL28248735 0.89 TSHR (0.46) TSHRTDP1CYP3A4HPGDMAPT
SCHEMBL19105315 0.88 TSHR (0.53) TSHRTDP1CYP3A4HPGDL3MBTL1
SCHEMBL28663773 0.86 TSHR (0.56) TSHRTDP1HPGDMAPTL3MBTL1
SCHEMBL28822212 0.85 TSHR (0.59) TSHRTDP1HPGDMAPTLMNA
SCHEMBL11099599 0.83 TSHR (0.49) TSHRTDP1HPGDMAPTL3MBTL1
SCHEMBL15442976 0.83 TSHR (0.47) TSHRTDP1CYP3A4HPGDMAPT
SCHEMBL14331822 0.83 TSHR (0.46) TSHRTDP1CYP3A4HPGDMAPT
SCHEMBL9323925 0.82 TSHR (0.46) TSHRTDP1CYP3A4HPGDMAPT
SCHEMBL29222920 0.82 TSHR (0.46) TSHRTDP1CYP3A4HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
US-5574152-A 4-(1,1-dialkoxycarbonylalkyl) azetidin-2-one derivative and process for producing 4-(1-carboxyalkyl) azetidin-2-one derivative using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-11-12 US disclosed
US-5371214-A 4-(1,1-dialkoxycarbonylalkyl)azetidin-2-one derivative and process for producing 4-(1-carboxyalkyl)azetidin-2-one derivative using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-12-06 US disclosed
EP-0546742-A1 4-(1,1-Dialkoxycarbonyl-alkyl)azetidin-2-one-derivatives and synthesis of 4-(1-carboxy-alkyl)azetidin-2-one derivatives therefrom Takasago International Corporation (JP) 1993-06-16 EP disclosed