SCHEMBL589148

SCHEMBL589148

C=CC(=O)N(OCCCCCO)OCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.34
GAA P10253 1/20 0.33
ACHE P22303 6/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL1783783 0.84 TSHR (0.46) TSHRALDH1A1CYP3A4
SCHEMBL30888739 0.81 ZDHHC20 (0.47) TSHRALDH1A1CYP3A4ZDHHC20
SCHEMBL588623 0.74 TSHR (0.34) TSHRALDH1A1CYP3A4
SCHEMBL588661 0.73 TSHR (0.37) TSHRALDH1A1CYP3A4ZDHHC20GAA
1,6-Hexanediol SCHEMBL1954486 0.69 TSHR (0.83) TSHRALDH1A1CYP3A4ACHE
SCHEMBL8211742 0.69 TSHR (0.83) TSHRALDH1A1CYP3A4ACHE
SCHEMBL35062 0.69 TSHR (0.83) TSHRALDH1A1CYP3A4ACHE
SCHEMBL11654713 0.69 TSHR (0.83) TSHRALDH1A1CYP3A4ACHE
SCHEMBL221740 0.69 TSHR (0.83) TSHRALDH1A1CYP3A4ACHE
SCHEMBL5918785 0.69 TSHR (0.83) TSHRALDH1A1CYP3A4ACHE

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