SCHEMBL8934296

SCHEMBL8934296

O=C[C@H](O)[C@H](O)[C@@H](O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CYP2D6 P10635 3/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN4A P35499 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL11684378 0.84 LMNA (0.49) LMNAL3MBTL1KMT2ACYP1A2TSHR
SCHEMBL28234854 0.83 CYP2C9 (0.46) LMNAADRB2ADRB1ADRB3MEN1
SCHEMBL9564637 0.79 LMNA (0.68) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL4212363 0.78 LMNA (0.57) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL8651047 0.77 LMNA (0.52) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL978754 0.77 LMNA (0.55) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL8588054 0.76 TK1 (0.44) LMNAALOX15CYP1A2TSHR
SCHEMBL11800596 0.76 TK1 (0.44) LMNAALOX15CYP1A2TSHR
SCHEMBL14917012 0.76 ALDH1A1 (0.70) LMNAADRB2ADRB1ADRB3L3MBTL1
SCHEMBL9294939 0.76 ALDH1A1 (0.33) MEN1KMT2A

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-1996031615-A1 USE OF 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE TO PREPARE 2-DEOXYFUCOSE, ANALOGUES AND DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 1996-10-10 WO disclosed