SCHEMBL589167

SCHEMBL589167

C=CC(=O)NCN(CCO)CCO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TGM2 P21980 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3280467 0.82 ZDHHC20 (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29207951 0.82 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8766333 0.80 ZDHHC20 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3281090 0.79 ZDHHC20 (0.55) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3280636 0.77 ZDHHC20 (0.58) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3280518 0.77 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL821811 0.77 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11153148 0.76 ZDHHC20 (0.61) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4977999 0.76 ZDHHC20 (0.51) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3279385 0.76 ZDHHC20 (0.61) TSHRALDH1A1MAPK1TDP1ZDHHC20

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
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US claimed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US claimed
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
US-4096133-A Method for quaternizing polymers of water-soluble aminovinyl monomers THE DOW CHEMICAL COMPANY (US) 1978-06-20 US disclosed