SCHEMBL7708490

SCHEMBL7708490

C=CCOC(=O)CCCN=N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL153651 0.82 TSHR (0.77) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL463195 0.82 TSHR (0.70) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11795597 0.80 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL3120781 0.80 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL632341 0.80 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL10834721 0.80 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL5392962 0.80 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL180289 0.80 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11131759 0.80 TSHR (0.74) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL20539980 0.79 TSHR (0.53) 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
US-6482897-B1 Process for producing ABS moulding compositions having a high rubber content BAYER AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed