SCHEMBL7522645

SCHEMBL7522645

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLO1 Q04760 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9245453 1.00 ALDH1A1 (0.36) ALDH1A1TDP1GLO1LMNAHSD17B10
SCHEMBL5317265 0.97 ALDH1A1 (0.38) ALDH1A1TDP1GLO1LMNAHSD17B10
SCHEMBL10825002 0.97 ALDH1A1 (0.38) ALDH1A1TDP1GLO1LMNAHSD17B10
SCHEMBL5167976 0.91 ALDH1A1 (0.33) ALDH1A1TDP1GLO1
SCHEMBL9245461 0.89 GRIK1 (0.33) ALDH1A1TDP1FFAR3
SCHEMBL28212797 0.89 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL4098148 0.88 ALDH1A1 (0.41) ALDH1A1TDP1GLO1LMNAHSD17B10
SCHEMBL8360659 0.88 ALDH1A1 (0.41) ALDH1A1TDP1GLO1LMNAHSD17B10
SCHEMBL3896936 0.87 CYP2D6 (0.33) ALDH1A1TDP1CYP2D6CYP2C19
SCHEMBL3345135 0.87 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10TSHRCYP2D6

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
EP-0487084-B1 Image forming method and apparatus CANON KK (JP) 2002-01-30 EP disclosed
US-5864406-A Method and apparatus for forming halftone images on organic-silver-salt-based printing plates CANON KABUSHIKI KAISHA (JP) 1999-01-26 US disclosed
US-5529889-A CONTAINING CYANINE COMPOUND CANON KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0559101-A1 Heat-developable photosensitive material and image forming method which uses the same CANON KABUSHIKI KAISHA (JP) 1993-09-08 EP disclosed
EP-0487084-A2 Image forming method and apparatus CANON KABUSHIKI KAISHA (JP) 1992-05-27 EP disclosed