SCHEMBL27657002

SCHEMBL27657002

C=CCOC(=O)C(N)CC=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 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
SCHEMBL2516533 0.83 MAPT (0.40) GRIK1GRIK2TSHRMAPTCACNA1B
SCHEMBL5341469 0.83 MAPT (0.40) GRIK1GRIK2TSHRMAPTCACNA1B
SCHEMBL2286672 0.83 MAPT (0.40) GRIK1GRIK2TSHRMAPTCACNA1B
SCHEMBL1274021 0.81 GRIK1 (0.41) GRIK1GRIK2TSHRALDH1A1HSD17B10
SCHEMBL3637092 0.81 MAPT (0.39) GRIK1GRIK2TSHRMAPTCACNA1B
SCHEMBL1706952 0.81 MAPT (0.39) GRIK1GRIK2TSHRMAPTCACNA1B
SCHEMBL18571419 0.81 GRIK1 (0.41) GRIK1GRIK2TSHRALDH1A1HSD17B10
SCHEMBL8824184 0.81 TSHR (0.43) GRIK1GRIK2TSHRMAPTCACNA1B
SCHEMBL3634048 0.81 MAPT (0.39) GRIK1GRIK2TSHRMAPTCACNA1B
Hydrochloric Acid SCHEMBL6573325 0.81 MAPT (0.39) GRIK1GRIK2TSHRMAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1926081-B Metal complexes for use in olefin methathesis and atom or group transfer reactions UNIV GENT 2011-06-15 CN disclosed
CN-1926081-A Metal complexes for use in olefin methathesis and atom or group transfer reactions UNIV GENT (BE) 2007-03-07 CN disclosed