SCHEMBL4749340

SCHEMBL4749340

CO[C@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)C[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4D Q08499 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
MAN2A1 Q16706 1/20 0.35
MAN1B1 Q9UKM7 1/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL4749610 1.00 HTT (0.40) HTTNR1I2PGRADORA3OPRK1
SCHEMBL4749604 1.00 HTT (0.40) HTTNR1I2PGRADORA3OPRK1
SCHEMBL4749339 1.00 HTT (0.40) HTTNR1I2PGRADORA3OPRK1
SCHEMBL3263638 1.00 HTT (0.40) HTTNR1I2PGRADORA3OPRK1
SCHEMBL4747216 0.77 HTT (0.40) HTTCA1CA2CA7CA9
SCHEMBL4747218 0.77 HTT (0.40) HTTCA1CA2CA7CA9
SCHEMBL3261395 0.77 HTT (0.40) HTTCA1CA2CA7CA9
SCHEMBL4913763 0.75 TBXAS1 (0.36) HTT
SCHEMBL13841803 0.75 TSHR (0.44) HTTCA1CA2CA7CA9
SCHEMBL24681155 0.75 LMNA (0.44) HTTPDE4D

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-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed