SCHEMBL17022326

SCHEMBL17022326

C=CC(=O)OCCCC.[SiH3]C1=CCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.67
HPGD P15428 1/20 0.67
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 3/20 0.42
THRB P10828 4/20 0.42
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL10552626 0.88 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL422877 0.85 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7196625 0.83 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL4368658 0.82 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5681395 0.82 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1331857 0.82
SCHEMBL1330627 0.82
SCHEMBL11582291 0.82 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL15037 0.82
SCHEMBL420653 0.81 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290390-B2 Polymer blends BOREALIS AG (AT) 2019-05-14 US disclosed
EP-3107954-B1 POLYMER BLENDS BOREALIS AG (AT) 2017-08-30 EP disclosed
US-20170011817-A1 POLYMER BLENDS BOREALIS AG (AT) 2017-01-12 US disclosed
EP-2910595-A1 Polymer Blends Borealis AG (AT) 2015-08-26 EP disclosed