SCHEMBL9538710

SCHEMBL9538710

CCCCC1[C@H](O)[C@@H](CI)O[C@]1(n1cc(C)c(=O)[nH]c1=O)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.35
TK1 P04183 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
ALB P02768 1/20 0.31
POLB P06746 1/20 0.31
ADRA1A P35348 1/20 0.31
BLM P54132 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
SCHEMBL8538169 0.91 TK2 (0.42) TK2TK1ALDH1A1LMNAALB
SCHEMBL3300461 0.81 TK2 (0.38) TK2TK1
SCHEMBL16267750 0.73 SLC28A1 (0.41)
SCHEMBL8859645 0.72 TK2 (0.36) TK2TK1ALDH1A1LMNAALB
SCHEMBL28293078 0.72 TK1 (0.32) TK2TK1ALDH1A1NPSR1
SCHEMBL8744204 0.72 TK1 (0.40) TK2TK1ALDH1A1LMNAALB
SCHEMBL9216459 0.71 ALDH1A1 (0.35) TK2TK1ALDH1A1NPSR1LMNA
SCHEMBL28294848 0.70 ALDH1A1 (0.34) TK2TK1ALDH1A1NPSR1
SCHEMBL8987848 0.69 TK1 (0.36) TK2TK1ALDH1A1LMNAALB
SCHEMBL28182722 0.67 TK2 (0.46) TK2TK1ALDH1A1LMNAALB

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-0541722-A1 COMPOUNDS AND METHODS FOR INHIBITING GENE EXPRESSION. STERLING WINTHROP INC (US) 1993-05-19 EP disclosed