SCHEMBL8356444

SCHEMBL8356444

C[C@@]1(C(=O)O)C(=O)OC[C@H]1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APLNR P35414 1/20 0.30
SLC1A2 P43004 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
SCHEMBL22504186 0.72 SLC1A2 (0.30) SLC1A2SLC1A1
SCHEMBL7200169 0.67 MAPK1 (0.32) MEN1KMT2AMAPK1TP53NFKB1
SCHEMBL11528798 0.66 LMNA (0.36) KMT2AMAPK1CYP2C19LMNASMN1; SMN2
SCHEMBL19988742 0.63
SCHEMBL19985887 0.63 DRD2 (0.31)
SCHEMBL25259938 0.61
SCHEMBL7514666 0.60
SCHEMBL546932 0.60 LMNA (0.59) MEN1KMT2AMAPK1CYP2C19LMNA
SCHEMBL8576503 0.60
SCHEMBL2888549 0.60

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-1999032649-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1999-07-01 WO disclosed