SCHEMBL21888907

SCHEMBL21888907

CP(=O)(O)OC[C@@H]1CC(=O)[C@H](n2cnc(C(N)=O)n2)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
EIF4E P06730 1/20 0.40
CYP3A4 P08684 1/20 0.40
TOP1 P11387 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
FBP1 P09467 1/20 0.31
ATIC P31939 1/20 0.31
PNP P00491 1/20 0.30

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
SCHEMBL21888074 0.83 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887985 0.82 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL20277606 0.75 LMNA (0.66) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL20277543 0.75 LMNA (0.66) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887950 0.73 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888941 0.73 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887954 0.73 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL25807985 0.72 LMNA (0.53) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888048 0.72 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888051 0.72 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020072931-A2 PRE-ACTIVATED NUCLEOSIDE IMPDH INHIBITORS AS ANTI-INFECTIVE DRUGS OCTAGON THERAPEUTICS INC. (US) 2020-04-09 WO disclosed