SCHEMBL7748033

SCHEMBL7748033

C=C(CC=CC(=O)O)C(=O)OCCO.C=C(CC=Cc1ccccc1)C(=O)OC.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 5/20 0.36
MAPK1 P28482 2/20 0.36
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL4353678 0.91 TDP1 (0.43) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL2352029 0.90 TSHR (0.56) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL5007364 0.89 KDM4E (0.39) TSHRTDP1KDM4EHDAC3
SCHEMBL10405267 0.87 TSHR (0.38) TSHRTDP1ALDH1A1LMNA
SCHEMBL5276337 0.85 TDP1 (0.41) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL2462155 0.85 TSHR (0.63) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL19409894 0.85 TSHR (0.49) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL11248244 0.84 TSHR (0.45) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL4125846 0.83 TSHR (0.58) TSHRTDP1ALDH1A1CYP3A4CA2
Acrylic Acid Ethyl Ester SCHEMBL19409890 0.83 TSHR (0.53) TSHRTDP1ALDH1A1CYP3A4CA2

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
EP-1072948-B1 Thermally processed image recording material FUJIFILM CORP (JP) 2017-07-05 EP disclosed
EP-1072948-A1 Thermally processed image recording material FUJI PHOTO FILM CO., LTD. (JP) 2001-01-31 EP disclosed