SCHEMBL424629

SCHEMBL424629

C=CC(=O)OCCOC.O=C(O)C1=CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
TSHR P16473 9/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL426982 0.92 TSHR (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL424013 0.87 TSHR (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL423921 0.86 TSHR (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL422877 0.84 TSHR (0.63) THRBTSHRALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL340906 0.83 TSHR (0.40) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL420653 0.83 TSHR (0.57) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL420649 0.82 TSHR (0.55) THRBTSHRALDH1A1TP53HPGD
SCHEMBL423893 0.82 TSHR (0.55) THRBTSHRALDH1A1TP53HPGD
Acrylic Acid Methyl Ester SCHEMBL678565 0.81 PTPN1 (0.37) THRBTSHRLMNAHCAR2GABRP
SCHEMBL426844 0.81 TSHR (0.46) THRBTSHRALDH1A1TP53HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940834-B2 Partially aromatic polyamide moulding compositions and their uses EMS-PATENT AG (CH) 2015-01-27 US claimed
EP-2410020-B1 Partially aromatic polyamide moulding compositions and their applications EMS PATENT AG (CH) 2013-01-30 EP claimed
US-20120022194-A1 PARTIALLY AROMATIC POLYAMIDE MOULDING COMPOSITIONS AND THEIR USES EMS-PATENT AG (CH) 2012-01-26 US claimed
US-8940834-B2 Partially aromatic polyamide moulding compositions and their uses EMS-PATENT AG (CH) 2015-01-27 US disclosed
US-20120022194-A1 PARTIALLY AROMATIC POLYAMIDE MOULDING COMPOSITIONS AND THEIR USES EMS-PATENT AG (CH) 2012-01-26 US disclosed