SCHEMBL423893

SCHEMBL423893

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
HCAR2 Q8TDS4 3/20 0.47
PRKCA P17252 2/20 0.42
APP P05067 3/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 3/20 0.39
THRA P10827 1/20 0.39
PLA2G2A P14555 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL420649 1.00 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL420653 0.99 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL422877 0.94 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL424013 0.89 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL426844 0.85 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL426982 0.85 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid Ethyl Ester SCHEMBL340906 0.83 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
Benzene SCHEMBL342570 0.82 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL423921 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4LMNA
SCHEMBL8840296 0.82 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4HCAR2

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