SCHEMBL7567699

SCHEMBL7567699

CCC(=O)N(C(C)O)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SOAT1 P35610 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4146905 0.80 ALDH1A1 (0.37) TDP1FFAR3ALDH1A1TSHR
SCHEMBL28639265 0.79 CES2 (0.39) FFAR3ALDH1A1TSHRTP53
SCHEMBL11051372 0.78 TDP1 (0.33) TDP1CA12CA1CA2CA9
SCHEMBL4147316 0.76 TDP1 (0.32) TDP1FFAR3ALDH1A1TSHRSOAT1
SCHEMBL5140309 0.74 TSHR (0.32) TDP1FFAR3ALDH1A1TSHR
SCHEMBL21480456 0.74 LMNA (0.32) TDP1FFAR3ALDH1A1TSHR
SCHEMBL18907821 0.72
SCHEMBL9138869 0.72 FFAR4 (0.50) ALDH1A1TSHR
SCHEMBL11838500 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21594708 0.72 CHRM1 (0.37) TDP1TSHRCA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853108-B1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORP (US) 2002-08-21 EP disclosed
US-5851274-A Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-12-22 US disclosed
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP disclosed
EP-0853108-A1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-07-15 EP disclosed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 US disclosed
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed