SCHEMBL9925882

SCHEMBL9925882

CNC(C(=O)OC)[C@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.45
CA12 O43570 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.37
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13797928 1.00 CA14 (0.45) CA14CA12SMN1; SMN2TSHRCA7
SCHEMBL8164724 1.00 CA14 (0.45) CA14CA12SMN1; SMN2TSHRCA7
SCHEMBL24445693 1.00 CA14 (0.45) CA14CA12SMN1; SMN2TSHRCA7
SCHEMBL24556376 1.00 CA14 (0.45) CA14CA12SMN1; SMN2TSHRCA7
SCHEMBL13204470 0.82 CA14 (0.58) CA14CA12SMN1; SMN2TSHRCA7
SCHEMBL6966533 0.82 CA14 (0.58) CA14CA12SMN1; SMN2TSHRCA7
SCHEMBL7274381 0.82 CA14 (0.58) CA14CA12SMN1; SMN2TSHRCA7
Hydrochloric Acid SCHEMBL1761465 0.80 CA14 (0.56) CA14CA12SMN1; SMN2TSHRCA7
Hydrochloric Acid SCHEMBL17559741 0.80 CA14 (0.56) CA14CA12SMN1; SMN2TSHRCA7
Hydrochloric Acid SCHEMBL29398016 0.80 CA14 (0.56) CA14CA12SMN1; SMN2TSHRCA7

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
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed