SCHEMBL6692535

SCHEMBL6692535

C=CCOC(=O)[C@H](CCSC(N)=O)NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
IDE P14735 2/20 0.32
PPID Q08752 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL7119567 0.89 SMN1; SMN2 (0.35) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL7119570 0.89 SMN1; SMN2 (0.35) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL7117253 0.77 SMN1; SMN2 (0.41) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL14930732 0.77 L3MBTL1 (0.46) MAPTSMN1; SMN2TDP1L3MBTL1PLA2G2C
SCHEMBL7117245 0.77 SMN1; SMN2 (0.41) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL5707640 0.76 MAPT (0.48) MAPTSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL2791101 0.74 SMN1; SMN2 (0.52) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL8628765 0.74 SMN1; SMN2 (0.52) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL2791099 0.74 SMN1; SMN2 (0.52) MAPTCACNA1BAPBA1SMN1; SMN2TDP1
SCHEMBL11234232 0.72 SMN1; SMN2 (0.46) MAPTSMN1; SMN2TDP1

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-20040170669-A1 Feed rations and methods of feeding growing ruminants NOVUS INTERNATIONAL, INC. 2004-09-02 US claimed
WO-2004008874-A1 FEED RATIONS AND METHODS OF FEEDING GROWING RUMINANTS NOVUS INTERNATIONAL, INC. (US) 2004-01-29 WO claimed