SCHEMBL17145154

SCHEMBL17145154

CCOC(=O)C1=C[C@H]2O[C@H]2[C@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL17145160 0.78 LMNA (0.33) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL10478110 0.77 LMNA (0.44) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL3455790 0.75 LMNA (0.44) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL12867174 0.74 LMNA (0.37) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL12867184 0.74 LMNA (0.40) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL12867186 0.74 LMNA (0.40) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL15929807 0.74 LMNA (0.37) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL16646267 0.74 LMNA (0.37) LMNAMEN1KMT2ACYP3A4KDM4E
SCHEMBL3679243 0.73 KMT2A (0.34) LMNAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL30468216 0.73 TSHR (0.35) LMNAMEN1KMT2ACYP3A4KDM4E

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-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed