SCHEMBL589764

SCHEMBL589764

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 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
SCHEMBL588487 0.81 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27129866 0.74 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29208061 0.73 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11064675 0.71 KMT2A (0.36) TSHRALDH1A1
SCHEMBL7736055 0.70 ALDH1A1 (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL21143016 0.69 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL6130624 0.68 ZDHHC20 (0.36) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL14901 0.68
SCHEMBL588261 0.68 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17267140 0.68

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