SCHEMBL426982

SCHEMBL426982

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 2/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL424629 0.92 THRB (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL422877 0.87 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL426844 0.86 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL420653 0.86 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL420649 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL423893 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL424013 0.84 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL340906 0.81 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL423921 0.81 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL439108 0.80 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4THRB

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