SCHEMBL13657154

SCHEMBL13657154

Cc1c(C)c2c(c(C)c1OCCC(=O)O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.82
GSTO1 P78417 2/20 0.78
PTPN1 P18031 1/20 0.78
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
PDE4A P27815 1/20 0.72
PDE3A Q14432 1/20 0.72
LMNA P02545 3/20 0.65
TTPA P49638 3/20 0.65
MAPT P10636 2/20 0.65
GSTP1 P09211 1/20 0.65
USP2 O75604 1/20 0.65
THRB P10828 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
NR1I2 O75469 3/20 0.60
ALOX5 P09917 1/20 0.60
PGR P06401 1/20 0.51
AKT1 P31749 1/20 0.47

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
SCHEMBL2142325 1.00 PSEN1 (0.82) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL634036 1.00 PSEN1 (0.82) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL3096752 0.96 PSEN1 (0.75) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL31330188 0.95 PSEN1 (0.81) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL627980 0.95 PSEN1 (0.81) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL2141324 0.95 PSEN1 (0.81) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL25278931 0.94 PSEN1 (0.77) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL25233309 0.94 PSEN1 (0.77) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL13657155 0.94 PSEN1 (0.79) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL627940 0.94 PSEN1 (0.79) PSEN1GSTO1PTPN1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608638-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2009-10-27 US disclosed
US-7608638-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2009-10-27 US disclosed