SCHEMBL4615689

SCHEMBL4615689

CCC(O)C(OS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
KCNA5 P22460 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 1/20 0.39
VDR P11473 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 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
SCHEMBL4617403 1.00 PKM (0.41) PKMKCNA5KMT2AMEN1CYP2D6
SCHEMBL9475352 0.85 VDR (0.46) CYP2D6MAPK1CA12CYP1A2CYP3A4
SCHEMBL7305249 0.80 ALDH1A1 (0.42) PKMKCNA5CYP2D6MAPK1CA12
SCHEMBL13105251 0.79 ALDH1A1 (0.40) KMT2AMEN1CA12CYP3A4CA9
SCHEMBL16377449 0.79 VDR (0.47) PKMKMT2AMEN1CYP2D6MAPK1
SCHEMBL4618425 0.79 HTT (0.37) PKMKCNA5KMT2AMEN1CYP2D6
SCHEMBL5468129 0.79 GAA (0.42) KMT2AMEN1CA12CYP3A4CA9
SCHEMBL5468126 0.79 GAA (0.42) KMT2AMEN1CA12CYP3A4CA9
SCHEMBL6005429 0.78 RECQL (0.40) PKMKMT2AMEN1CYP2D6MAPK1
SCHEMBL10970992 0.77 MAPK1 (0.43) PKMKMT2AMEN1CYP2D6MAPK1

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
EP-1891005-A2 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2008-02-27 EP disclosed
WO-2006112742-A2 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2α DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2006-10-26 WO disclosed