SCHEMBL12629241

SCHEMBL12629241

C=CCOC(=O)CCCNC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ ALDH1A1 P00352 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ EPHX2 P34913 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DGKA P23743 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL12580545 0.89 TSHR (0.55) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL463195 0.82 TSHR (0.70) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL153651 0.82 TSHR (0.77) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL28252870 0.81 TSHR (0.65) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL180289 0.80 TSHR (0.81) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL5392962 0.80 TSHR (0.81) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL3120781 0.80 TSHR (0.81) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL10834721 0.80 TSHR (0.81) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL11131759 0.80 TSHR (0.74) TSHRALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL11795597 0.80 TSHR (0.81) TSHRALDH1A1GAAEPHX2SMN1; SMN2

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
US-7939582-B2 Rendered compostable by prodegradant system of organotitanate or zirconate and organotin BIOTECH PRODUCTS, LLC (US) 2011-05-10 — — US disclosed
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