SCHEMBL16666281

SCHEMBL16666281

COc1c(C)c(C)c2c(c1C)C(=O)C(C(=O)O)C(C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE4A P27815 1/20 0.46
PDE3A Q14432 1/20 0.46
GSTO1 P78417 2/20 0.45
PTPN1 P18031 2/20 0.45
TTPA P49638 3/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
GSTP1 P09211 1/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKT1 P31749 2/20 0.37
NR1I2 O75469 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL16666279 1.00 PSEN1 (0.47) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16671460 0.92 MEN1 (0.45) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16666298 0.92 MEN1 (0.45) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16666299 0.92 MEN1 (0.45) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16666352 0.82 PSEN1 (0.40) PSEN1PTPN1
SCHEMBL16666422 0.77 AKT1 (0.52) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16666419 0.77 AKT1 (0.52) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16666423 0.77 AKT1 (0.52) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16667485 0.74 DNTT (0.41) PSEN1KMT2ALMNA
SCHEMBL16667486 0.74 DNTT (0.41) PSEN1KMT2ALMNA

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-2865677-A1 Synthesis of chromane compounds and their derivatives by a copper-catalyzed conjugate addition reaction DSM IP Assets B.V. (NL) 2015-04-29 EP disclosed