SCHEMBL8091533

SCHEMBL8091533

O=c1[nH]c(=O)n(C2COC(CO)CO2)cc1I

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.57
PYGM P11217 1/20 0.49
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RY6 Q15077 1/20 0.39
P2RY14 Q15391 1/20 0.39
ALOX12 P18054 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL8087484 0.85 LMNA (0.53) TK1LMNATSHRBLMPMP22
SCHEMBL8159691 0.84 SMN1; SMN2 (0.54) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL8087489 0.84 LMNA (0.57) TK1LMNASMN1; SMN2TSHRPMP22
SCHEMBL465623 0.82 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL1027300 0.82 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL3415528 0.82 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL465624 0.82 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL8088531 0.81 TK1 (0.56) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL2043148 0.80 TK1 (0.62) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL5898590 0.80 TK1 (0.62) TK1PYGMLMNASMN1; SMN2CYP1A2

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 4 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
US-6034087-A VIRICIDE AGAINST HEPATITIS B CHONG KUN DANG CORP. (KR) 2000-03-07 US disclosed