SCHEMBL5052633

SCHEMBL5052633

C=C(C(=O)OCC)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TRPA1 O75762 1/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL5059027 0.83 TSHR (0.41) ALDH1A1TSHRLMNAGAATHRB
SCHEMBL12708838 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL27695869 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL28635336 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL1446992 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
Phosphoric Acid SCHEMBL1100985 0.77 THRB (0.55) ALDH1A1TSHRMAPTNPSR1GLO1
Phosphoric Acid SCHEMBL10595602 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
Phosphoric Acid SCHEMBL9234843 0.77 THRB (0.55) ALDH1A1TSHRMAPTNPSR1GLO1
Phosphoric Acid SCHEMBL94511 0.77 THRB (0.55) ALDH1A1TSHRMAPTNPSR1GLO1
Phosphoric Acid SCHEMBL9234978 0.77 THRB (0.55) ALDH1A1TSHRMAPTNPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
US-7141346-B2 Liquid developer for image forming apparatus RICOH COMPANY, LTD. (JP) 2006-11-28 US disclosed
US-20040241567-A1 Liquid developer for image forming apparatus RICOH COMPANY, LTD. (JP) 2004-12-02 US disclosed
US-6395805-B1 PRECIPITATION PREVENTION; STABILITY; HIGH MOLECULAR WEIGHT ACIDIC AND BASIC COMPOUNDS ARE ADSORBED AND CROSSLINKED ONTO GRANULAR MATERIAL HITACHI MAXELL, LTD. (JP) 2002-05-28 US disclosed