SCHEMBL17284530

SCHEMBL17284530

CC#CCC(I)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.34
PKM P14618 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MMP8 P22894 2/20 0.32
PIN1 Q13526 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL13259166 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL6893301 0.78 CYP4F2 (0.46) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL15551008 0.78 MMP8 (0.43) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL16841345 0.76 MEN1 (0.37) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL3963660 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL13259175 0.73 MEN1 (0.42) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL9978375 0.72 PKM (0.62) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL24425847 0.70 MEN1 (0.40) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL5613290 0.69
SCHEMBL12659666 0.69 ALDH1A1 (0.48) MEN1KMT2AALDH1A1PKMKDM4E

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-2015179427-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2015-11-26 WO disclosed