SCHEMBL23065673

SCHEMBL23065673

O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc(O)c(O)cc1c2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
ALOX5 P09917 6/20 0.45
GAPDH P04406 1/20 0.37
TOP2A P11388 1/20 0.36
FABP4 P15090 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL25943658 0.90 KDM4E (0.55) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL23053099 0.89 ALDH1A1 (0.70) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL23065639 0.80 MEN1 (0.77) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL18812556 0.78 MAPT (0.75) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL23065642 0.78 KDM4E (0.64) KDM4EMAPTALDH1A1NPSR1MEN1
Taiwanin E Methyl Ether SCHEMBL11954034 0.78 MAPT (0.74) KDM4EMAPTALDH1A1NPSR1MEN1
Taiwanin E Methyl Ether SCHEMBL30637589 0.78 MAPT (0.74) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL18803393 0.77 ALDH1A1 (0.64) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL23065641 0.76 MAPT (0.56) KDM4EMAPTALDH1A1NPSR1MEN1
Taiwanin E SCHEMBL15363973 0.76 MEN1 (0.82) KDM4EMAPTALDH1A1NPSR1MEN1

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-2021037077-A1 PATENTIFLORIN A ANALOGS AS ANTIVIRAL AGENTS HONG KONG BAPTIST UNIVERSITY (CN) 2021-03-04 WO disclosed