SCHEMBL8080110

SCHEMBL8080110

O=c1[nH]c(=O)n(C2CCC(CO)CO2)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
PYGM P11217 1/20 0.48
TK1 P04183 3/20 0.43
LMNA P02545 3/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL8087499 0.85 LMNA (0.60) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL8091552 0.85 LMNA (0.51) ALDH1A1POLBTK1LMNATSHR
SCHEMBL8088562 0.85 PYGM (0.48) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL8088531 0.85 TK1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL8159691 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL24695865 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL10380346 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL2035541 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL6753208 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL6753207 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBKMT2APYGM

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