SCHEMBL588623

SCHEMBL588623

C=CC(=O)N(OCO)OCO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
ALDH1A1 P00352 4/20 0.31
TP53 P04637 3/20 0.31
HIF1A Q16665 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 0.81 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8641115 0.78 TSHR (0.39) TSHRALDH1A1
SCHEMBL589148 0.74 TSHR (0.41) TSHRALDH1A1CYP3A4
SCHEMBL10748759 0.70 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL30888739 0.70 ZDHHC20 (0.47) TSHRALDH1A1CYP3A4
SCHEMBL6325632 0.69
SCHEMBL27938071 0.69
SCHEMBL27878085 0.67 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7031429 0.66 LMNA (0.41) TSHRALDH1A1MAPK1LMNA
SCHEMBL11629259 0.65 LMNA (0.35) TSHRALDH1A1TP53HIF1ACYP3A4

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