SCHEMBL6552554

SCHEMBL6552554

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](n2cc(F)c(=O)[nH]c2=O)OC[C@@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HBB P68871 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ESR1 P03372 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8496110 1.00 LMNA (0.46) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL11303799 0.81 LMNA (0.50) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL8771949 0.80 POLB (0.50) LMNAPOLBGAACA1CA2
SCHEMBL11134817 0.80 LMNA (0.62) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL6552632 0.80 POLB (0.50) LMNAPOLBGAACA1CA2
SCHEMBL6536580 0.77 LMNA (0.51) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL1055675 0.76 LMNA (0.58) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL2583193 0.76 LMNA (0.58) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL2585372 0.74 LMNA (0.46) LMNAMAPTSMN1; SMN2TSHRPMP22
SCHEMBL2585374 0.74 LMNA (0.46) LMNAMAPTSMN1; SMN2TSHRPMP22

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-0788507-B1 L-PYRANOSYL NUCLEOSIDES GENENCOR INT (US) 2004-12-15 EP disclosed