SCHEMBL12449154

SCHEMBL12449154

C=C/C=C\C(=C/C)COC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 0.34

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
SCHEMBL8241419 0.83 PTPN1 (0.37) HPGDALDH1A1CYP3A4HSD17B10SMN1; SMN2
SCHEMBL13117332 0.80 NAAA (0.32) TSHRHPGDALDH1A1HIF1A
SCHEMBL18661767 0.79 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20341608 0.77
SCHEMBL2665501 0.74
SCHEMBL15455067 0.73 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13117315 0.73
SCHEMBL24990704 0.73
SCHEMBL24810918 0.72 TSHR (0.42) TSHRALDH1A1CYP3A4HSD17B10THRB
SCHEMBL28177141 0.71 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2359862-A1 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents Intezyne Technologies Inc. (US) 2011-08-24 EP disclosed