SCHEMBL28565131

SCHEMBL28565131

CC1(C)C=CC2=Cc3ccccc3C(=O)C2=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
IDO1 P14902 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.37
POLB P06746 1/20 0.37
PTPRC P08575 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
PTPN1 P18031 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 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
SCHEMBL28558010 0.81 CDC25A (0.40) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL9329488 0.73 PTPRC (0.44) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL3444897 0.69 CDC25B (0.57) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL1646179 0.69 MEN1 (0.40) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL6427919 0.67 CES1 (0.42) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL19171452 0.66
SCHEMBL8161494 0.66 THRB (0.33) THRB
SCHEMBL28547799 0.66 CDC25A (0.39) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL7119051 0.66 CDC25B (0.53) CDC25ACDC25BIDO1KDM4EMEN1
SCHEMBL1895970 0.65 MAOA (0.41) CDC25ACDC25BIDO1KDM4EMEN1

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
CN-106654332-B Organic phase electrolyte and application thereof in cathode of flow battery 天津大学 2021-04-27 CN claimed
CN-106654332-B Organic phase electrolyte and application thereof in cathode of flow battery 天津大学 2021-04-27 CN disclosed