SCHEMBL570475

SCHEMBL570475

CC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C(O)C1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 1/20 0.54
PMP22 Q01453 1/20 0.54
HBB P68871 1/20 0.54
P2RY6 Q15077 2/20 0.52
P2RY14 Q15391 2/20 0.52
NT5E P21589 1/20 0.52
THRB P10828 1/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 1/20 0.42
PYGM P11217 3/20 0.41
DNPH1 O43598 1/20 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
SCHEMBL6536566 1.00 LMNA (0.54) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL1055675 0.92 LMNA (0.58) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL2583193 0.92 LMNA (0.58) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL7800239 0.91 P2RY6 (0.54) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL10895353 0.89 LMNA (0.56) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL10894860 0.89 LMNA (0.50) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL10894855 0.89 LMNA (0.50) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL10887395 0.89 LMNA (0.50) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL10887401 0.89 LMNA (0.50) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL8160426 0.88 LMNA (0.52) LMNASMN1; SMN2THRBHIF1AALDH1A1

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
EP-2601202-A1 BONE-TARGETING BISPHOSPHONATE DUPLEX DRUGS SCHOTT, Herbert (DE) 2013-06-12 EP disclosed
WO-2012016994-A1 BONE-TARGETING BISPHOSPHONATE DUPLEX DRUGS SCHOTT HERBERT (DE) 2012-02-09 WO disclosed