SCHEMBL588263

SCHEMBL588263

C=CC(=O)NCN(OP(=O)(O)OC)OP(=O)(O)OC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 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
SCHEMBL589765 0.82 ZDHHC20 (0.37) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6379369 0.68
SCHEMBL977677 0.68 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21091697 0.68 TSHR (0.47) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL17636271 0.68 ZDHHC20 (0.53) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL420273 0.67
SCHEMBL483610 0.66 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Acrylic Acid Methyl Ester SCHEMBL699007 0.65 HCAR2 (0.40) ALDH1A1TSHR
Phosphoric Acid SCHEMBL28573485 0.65 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Acrylic Acid SCHEMBL28243331 0.64 LMNA (0.50) ALDH1A1

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
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed