SCHEMBL9697481

SCHEMBL9697481

O=C(O)C1C(C(=O)O)[C@H]2C=C[C@@H]1O2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.61
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APEX1 P27695 1/20 0.42

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
SCHEMBL11393084 1.00 PPM1B (0.61) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL6778458 1.00 PPM1B (0.61) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL13897079 1.00 PPM1B (0.61) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL13480836 1.00 PPM1B (0.61) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL1005051 1.00 PPM1B (0.61) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL13002242 0.88 PPM1B (0.52) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL16675540 0.88 PPM1B (0.56) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL9880145 0.88 PPM1B (0.56) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL819846 0.88 PPM1B (0.56) PPM1BALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL9058158 0.88 PPM1B (0.52) PPM1BALDH1A1TDP1L3MBTL1KDM4E

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
US-5084539-A Ring opening polymerization of cyclic olefins useful in water treatment CIBA-GEIGY CORPORATION (US) 1992-01-28 US disclosed