SCHEMBL4192644

SCHEMBL4192644

CO[C@@H]1[C@H](O)[C@@H](COC2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.51
P2RY14 Q15391 2/20 0.51
NT5E P21589 1/20 0.51
PYGM P11217 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
PMP22 Q01453 1/20 0.47
HBB P68871 1/20 0.47
TK2 O00142 4/20 0.45

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
SCHEMBL4201587 0.93 P2RY6 (0.55) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL28113579 0.90 LMNA (0.56) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL659076 0.90 LMNA (0.56) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL659077 0.90 LMNA (0.56) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL4194705 0.90 TK2 (0.57) PYGMLMNATK2
SCHEMBL5903930 0.89 P2RY6 (0.60) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL3832751 0.89 P2RY6 (0.60) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL28529833 0.89 P2RY6 (0.60) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL6518509 0.89 P2RY6 (0.60) P2RY6P2RY14NT5EPYGMLMNA
SCHEMBL6464709 0.83 SLC28A1 (0.62) P2RY6P2RY14

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-7608402-B2 DNA methylation specific signal amplification LI WEIWEI 2009-10-27 US disclosed
US-20090181373-A1 DNA methylation specific signal amplification LI WEIWEI 2009-07-16 US disclosed