SCHEMBL589142

SCHEMBL589142

C=CC(=O)OCC1NCCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 2/20 0.33

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
SCHEMBL6525414 0.78
SCHEMBL10150647 0.76 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9271809 0.74 XPO1 (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10864907 0.73 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28102851 0.73 CHRM2 (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6557409 0.72 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3678063 0.72
SCHEMBL421446 0.72 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14341591 0.72 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27374967 0.72 TSHR (0.38) 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 4 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 claimed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US claimed
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