SCHEMBL5282994

SCHEMBL5282994

C=C(C(=O)OC)C(CCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TGFBR1 P36897 1/20 0.37
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL6657457 0.90 CA2 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9172414 0.86 TGFBR1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5276347 0.85 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5284817 0.84 CASP1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1794769 0.80 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
Methacrylic Acid SCHEMBL11546414 0.80 ALDH1A1 (0.42) ALDH1A1TGFBR1EGLN1TSHR
SCHEMBL28009765 0.78 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2527545 0.77 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28000485 0.77 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8094568 0.76 CA2 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 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
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 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
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 EP 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