SCHEMBL426844

SCHEMBL426844

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.38
LMNA P02545 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL423921 0.92 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL422877 0.88 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL426982 0.86 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL420653 0.86 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL420649 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL423893 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL424013 0.85 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL340906 0.84 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL237172 0.81 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL424629 0.81 THRB (0.44) TSHRHPGDALDH1A1CYP3A4TP53

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