SCHEMBL4751050

SCHEMBL4751050

C=CCOC(=O)CCCN=C=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL11586710 0.93 TSHR (0.58) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11586550 0.93 TSHR (0.58) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL10451043 0.93 TSHR (0.58) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL463195 0.79 TSHR (0.70) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL153651 0.79 TSHR (0.77) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL18432690 0.79 TSHR (0.46) TSHRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7708490 0.79 TSHR (0.56) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL720609 0.78 TSHR (0.42) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL180289 0.77 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL5392962 0.77 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; 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
WO-2008132541-A2 CONJUGATES OF 2-FLUORO-2-DEOXY-GLUCOSE AND THEIR USES AS ANTI CANCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-11-06 WO disclosed