SCHEMBL24871017

SCHEMBL24871017

CC(C)(C)c1cc(CNCCN)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.45
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSP90AA1 P07900 1/20 0.39
CYP2C19 P33261 6/20 0.39
HSPA5 P11021 2/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 3/20 0.39
HIF1A Q16665 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SCN2A Q99250 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 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
SCHEMBL6053706 0.91 GSR (0.47) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL6053408 0.91 GSR (0.50) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL11593073 0.89 GSR (0.46) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL31043275 0.87 ALDH1A1 (0.47) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL7943209 0.87 GSR (0.51) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL7933905 0.86 GSR (0.62) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL7940416 0.85 GSR (0.50) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL28789635 0.85 GSR (0.45) GSRNR5A2NR5A1GAAALDH1A1
Hydrochloric Acid SCHEMBL27821211 0.84 GSR (0.47) GSRNR5A2NR5A1GAAALDH1A1
SCHEMBL8606003 0.80 NR5A2 (0.46) GSRNR5A2NR5A1GAAALDH1A1

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-2023283473-A1 POLY(DIALKYL BETA-LACTONE) COMPOSITIONS, METHODS OF MAKING SAME AND USES THEREOF CORNELL UNIVERSITY (US) 2023-01-12 WO disclosed