SCHEMBL3220127

SCHEMBL3220127

C=CC(=O)OCCCCOOC(=O)C=C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.72
ALDH1A1 P00352 4/20 0.72
CYP3A4 P08684 2/20 0.72
HPGD P15428 1/20 0.59
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 3/20 0.36

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
SCHEMBL17147918 0.96 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14243837 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL278196 0.87 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL244114 0.87 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6359732 0.86 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9101988 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13945622 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
Ethylene SCHEMBL977945 0.84 TSHR (0.90) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8493780 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL322713 0.84 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53

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-7834126-B2 Amide-containing polymers for rheology control BYK-CHEMIE GMBH (DE) 2010-11-16 US disclosed
US-7799890-B2 Amide-containing polymers for rheology control BYK-CHEMIE GMBH (DE) 2010-09-21 US disclosed
US-20080132671-A1 AMIDE-CONTAINING POLYMERS FOR RHEOLOGY CONTROL BYK-CHEMIE GMBH 2008-06-05 US disclosed
US-20070088148-A1 Amide-containing polymers for rheology control BYK-CHEMIE GMBH (DE) 2007-04-19 US disclosed