SCHEMBL28679013

SCHEMBL28679013

CCOC(=O)C(C)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
TSHR P16473 2/20 0.63
ALDH1A1 P00352 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
PIN1 Q13526 1/20 0.47
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MMP8 P22894 1/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 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
SCHEMBL27416181 0.84 POLB (0.54) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL15438677 0.81 NPC1 (0.46) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL30338421 0.80 POLB (0.61) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL29093653 0.80 POLB (0.61) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL6360536 0.80 POLB (0.61) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL15361506 0.79 ALDH1A1 (0.81) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL28717787 0.78 ALDH1A1 (1.00) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL17937989 0.77 ALDH1A1 (0.49) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL24225368 0.77 ELANE (0.49) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL29012556 0.76 L3MBTL1 (0.44) POLBTSHRALDH1A1L3MBTL1MEN1

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
CN-113968786-A Process for preparing two methyl-substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylate compounds for preparation 信越化学工业株式会社 2022-01-25 CN disclosed