SCHEMBL21204341

SCHEMBL21204341

Cc1c(C)c2c(c(C)c1OP(=O)(O)OS)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.82
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
PDE4A P27815 1/20 0.68
PDE3A Q14432 1/20 0.68
PSEN1 P49768 3/20 0.66
LMNA P02545 3/20 0.64
TTPA P49638 3/20 0.64
MAPT P10636 2/20 0.64
GSTP1 P09211 1/20 0.64
USP2 O75604 1/20 0.64
THRB P10828 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTPN1 P18031 1/20 0.63
NR1I2 O75469 3/20 0.55
ALOX5 P09917 1/20 0.54
PGR P06401 1/20 0.48
AKT1 P31749 2/20 0.46
PDPK1 O15530 1/20 0.45

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
SCHEMBL278119 0.94 GSTO1 (0.89) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL29691219 0.94 GSTO1 (0.89) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL18688489 0.93 GSTO1 (0.82) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL23805544 0.91 GSTO1 (0.84) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL21257304 0.91 GSTO1 (0.84) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL23805543 0.91 GSTO1 (0.82) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL10476840 0.90 GSTO1 (1.00) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL15960056 0.90 GSTO1 (1.00) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL2507605 0.90 GSTO1 (1.00) GSTO1MEN1KMT2APDE4APDE3A
SCHEMBL18785106 0.90 GSTO1 (1.00) GSTO1MEN1KMT2APDE4APDE3A

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
EP-3517610-A1 BLOOD-BRAIN BARRIER PERMEABLE HETERODUPLEX NUCLEIC ACID National University Corporation Tokyo Medical and Dental University (JP) 2019-07-31 EP disclosed