SCHEMBL20634801

SCHEMBL20634801

Cc1cc2c(c(C)c1OC(=O)CCC([PH](=O)O)P(C)(=O)O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.53
PTPN1 P18031 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE4A P27815 1/20 0.48
PDE3A Q14432 1/20 0.48
PSEN1 P49768 2/20 0.45
TTPA P49638 3/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
GSTP1 P09211 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKT1 P31749 3/20 0.38
NR1I2 O75469 2/20 0.38
ALOX5 P09917 2/20 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
SCHEMBL20634804 0.87 GSTO1 (0.57) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL20634802 0.83 GSTO1 (0.54) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL16077006 0.81 GSTO1 (0.56) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL20634805 0.80 GSTO1 (0.51) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL12989326 0.77 MEN1 (0.53) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL16077007 0.75 PSEN1 (0.60) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL16077014 0.73 GSTO1 (0.49) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL16260622 0.73 LMNA (0.67) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL1258674 0.73 LMNA (0.67) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL28384361 0.73 LMNA (0.67) GSTO1PTPN1MEN1KMT2APDE4A

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-2019007447-A1 MULTIFUNCTIONAL CONJUGATES E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2019-01-10 WO disclosed