SCHEMBL5284817

SCHEMBL5284817

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPT P10636 2/20 0.39
EGLN1 Q9GZT9 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6657503 0.89 CA2 (0.41) CASP1ALDH1A1TSHRTDP1MAPT
SCHEMBL5282994 0.84 CHRM1 (0.43) ALDH1A1TSHRTDP1CHRM1AKR1A1
SCHEMBL22688957 0.84 ALDH1A1 (0.44) CASP1ALDH1A1TSHRMAPTEGLN1
SCHEMBL5078362 0.78 CASP1 (0.44) CASP1ALDH1A1TSHRMAPTEGLN1
SCHEMBL1794769 0.77 CHRM1 (0.48) TSHRTDP1CHRM1AKR1A1CHRM3
SCHEMBL3080153 0.77 TDP1 (0.48) ALDH1A1TDP1CHRM1AKR1A1CHRM3
SCHEMBL8757961 0.77 TSHR (0.47) ALDH1A1TSHRTDP1SLC1A3SLC1A2
SCHEMBL19471293 0.76 ALDH1A1 (0.44) CASP1ALDH1A1TSHRMAPTEGLN1
SCHEMBL6657457 0.76 CA2 (0.43) ALDH1A1TSHRTDP1CHRM1AKR1A1
SCHEMBL15156041 0.75 TSHR (0.50) ALDH1A1TSHRMAPTGRIK1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574364-A High slump loss resistant polycarboxylate superplasticizer and preparation method thereof 安徽海螺新材料科技有限公司 2021-03-30 CN claimed
CN-112574364-A High slump loss resistant polycarboxylate superplasticizer and preparation method thereof 安徽海螺新材料科技有限公司 2021-03-30 CN disclosed
EP-1281516-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-6951171-B2 Using graft polymer on etched or anodized aluminum substrate FUJI PHOTO FILM CO., LTD. (JP) 2005-10-04 US disclosed
EP-1048457-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2004-12-15 EP disclosed
EP-1031414-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2004-06-16 EP disclosed
US-20030129520-A1 Using graft polymer on etched or anodized aluminum substrate FUJIFILM CORPORATION (JP) 2003-07-10 US disclosed
EP-1281516-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2003-02-05 EP disclosed
US-6509132-B1 Comprises an ink-receptive image area for receiving ink during the printing process and a hydrophilic non-image area for receiving fountain solution FUJI PHOTO FILM CO., LTD. (JP) 2003-01-21 US disclosed
US-6455224-B1 SUPPORT WITH HYDROPHILIC SURFACE AND PHOTOSENSITIVE LAYER CONTAINING INFRARED ABSORBENT WHICH CHANGES FROM HYDROPHILIC TO HYDROPHOBIC BY HEAT AND HYDROPHILIC POLYMER HAVING FUNCTIONAL GROUP RENDERING LAYER WATER DEVELOPABLE FUJI PHOTO FILM CO., LTD. (JP) 2002-09-24 US disclosed
EP-1048457-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed
EP-1031414-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-08-30 EP disclosed