SCHEMBL588261

SCHEMBL588261

C=CC(=O)NN(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL176142 0.88 TSHR (0.35) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL588660 0.84 ZDHHC20 (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10716958 0.77 ZDHHC20 (0.32) ZDHHC20ZDHHC2
SCHEMBL7736055 0.74 ALDH1A1 (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27129866 0.74 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL588487 0.74 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ethylene Glycol SCHEMBL28912351 0.72 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10597623 0.70 CA12 (0.31)
SCHEMBL589167 0.70 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27904050 0.69

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