SCHEMBL424013

SCHEMBL424013

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.49
HPGD P15428 1/20 0.49
THRB P10828 4/20 0.42
HCAR2 Q8TDS4 2/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.36
APP P05067 1/20 0.35
ALOX5 P09917 1/20 0.34
ATM Q13315 1/20 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
SCHEMBL422877 0.91 TSHR (0.63) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL420653 0.90 TSHR (0.57) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL423893 0.89 TSHR (0.55) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL420649 0.89 TSHR (0.55) TSHRHPGDTHRBHCAR2ALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL340906 0.88 TSHR (0.40) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL423921 0.87 TSHR (0.49) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL424629 0.87 THRB (0.44) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL426844 0.85 TSHR (0.46) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL426982 0.84 TSHR (0.45) TSHRHPGDTHRBHCAR2ALDH1A1
SCHEMBL6047876 0.81 TSHR (0.62) TSHRHPGDTHRBALDH1A1TP53

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