SCHEMBL9908668

SCHEMBL9908668

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.52
TYMP P19971 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
POLB P06746 1/20 0.42
ADRA1A P35348 1/20 0.42
BLM P54132 1/20 0.42
TK1 P04183 2/20 0.41

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
SCHEMBL767906 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL767769 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL767848 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL9908659 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL9908664 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL767851 0.92 TK2 (0.58) TK2TYMPALDH1A1LMNAALB
SCHEMBL9908658 0.92 TK2 (0.58) TK2TYMPALDH1A1LMNAALB
SCHEMBL773733 0.92 TK2 (0.58) TK2TYMPALDH1A1LMNAALB
SCHEMBL16943135 0.91 TK2 (0.55) TK2TYMPALDH1A1LMNAALB
SCHEMBL18269561 0.91 TK2 (0.55) TK2TYMPALDH1A1LMNAALB

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-9512164-B2 Oligonucleotide end caps ALNYLAM PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20120142101-A1 OLIGONUCLEOTIDE END CAPS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed