SCHEMBL11018317

SCHEMBL11018317

C=CC(CC)OC(=O)OCCCOC(=O)OC(C=C)CC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.34
THRB P10828 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31

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
SCHEMBL14775229 0.84 TSHR (0.33) TSHRHPGDALDH1A1
SCHEMBL7144973 0.80 TSHR (0.36) TSHRALDH1A1
SCHEMBL1632915 0.76 TSHR (0.38) TSHRHPGDALDH1A1THRB
SCHEMBL11806261 0.74
SCHEMBL8461805 0.74
SCHEMBL12314345 0.74
SCHEMBL28245654 0.72 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL22724975 0.72
SCHEMBL18181679 0.72 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL851931 0.72 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB

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-0144782-A2 Polyol(allyl carbonate) compositions and polymerizates prepared therefrom PPG INDUSTRIES, INC. (US) 1985-06-19 EP disclosed