SCHEMBL8167240

SCHEMBL8167240

O=c1[nH]c(=O)n(C2COC(CO)CO2)cc1Cl.O=c1[nH]c(=O)n(C2COC(CO)CO2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.48
ESR1 P03372 1/20 0.48
PYGM P11217 1/20 0.44
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
HBB P68871 1/20 0.39
ALOX12 P18054 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8087489 0.93 LMNA (0.57) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL8087484 0.79 LMNA (0.53) LMNATSHRPMP22ADRA1A
SCHEMBL8159691 0.78 SMN1; SMN2 (0.54) LMNASMN1; SMN2PYGMTSHRPMP22
SCHEMBL8091533 0.78 TK1 (0.57) LMNASMN1; SMN2PYGMTSHRPMP22
SCHEMBL6752644 0.76 LMNA (0.60) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL6752642 0.76 LMNA (0.60) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL6748859 0.76 PYGM (0.52) LMNASMN1; SMN2PYGMTSHRPMP22
SCHEMBL22647744 0.76 LMNA (0.54) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL6748858 0.76 PYGM (0.52) LMNASMN1; SMN2PYGMTSHRPMP22
SCHEMBL8088562 0.75 PYGM (0.48) LMNASMN1; SMN2MAPTESR1PYGM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3047045-B2 2000-05-29 JP claimed
EP-0869953-A1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR PREPARING THEREOF CHONG KUN DANG CORP (KR) 1998-10-14 EP claimed
WO-1996012716-A1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR PREPARING THEREOF CHONG KUN DANG CORP. (KR) 1996-05-02 WO claimed