SCHEMBL588661

SCHEMBL588661

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.34
ACHE P22303 6/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL588262 0.85 TSHR (0.42) TSHRALDH1A1MAPK1TDP1
SCHEMBL588660 0.73 ZDHHC20 (0.39) TSHRALDH1A1ZDHHC20ZDHHC2MAPK1
SCHEMBL589148 0.73 TSHR (0.41) TSHRALDH1A1CYP3A4GAAACHE
SCHEMBL28586395 0.71 TSHR (0.43) TSHRALDH1A1CYP3A4GAAACHE
SCHEMBL28586530 0.71 TSHR (0.43) TSHRALDH1A1CYP3A4GAAACHE
SCHEMBL24652920 0.66 ZDHHC20 (0.68) TSHRALDH1A1GAAACHEZDHHC20
SCHEMBL28562520 0.66 ZDHHC20 (0.68) TSHRALDH1A1GAAACHEZDHHC20
SCHEMBL442128 0.66 ZDHHC20 (0.68) TSHRALDH1A1GAAACHEZDHHC20
SCHEMBL29257670 0.66 ZDHHC20 (0.68) TSHRALDH1A1GAAACHEZDHHC20
SCHEMBL3775886 0.66 ZDHHC20 (0.68) TSHRALDH1A1GAAACHEZDHHC20

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