SCHEMBL10692551

SCHEMBL10692551

C=CCOC(=O)C(N)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6407205 0.87 MAPT (0.44) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL6407206 0.81 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL26694357 0.81 MAPT (0.44) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL5302987 0.79 MAPT (0.43) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL17688556 0.78
SCHEMBL28496420 0.76
SCHEMBL27556323 0.76
SCHEMBL8617383 0.76
SCHEMBL1110727 0.76
SCHEMBL905193 0.76

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
US-4761408-A PENICILLIN DERIVATIVES, BACTERICIDES CIBA-GEIGY CORPORATION (US) 1988-08-02 US disclosed
US-4656165-A Aminomethyl penem compounds CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed