SCHEMBL28031739

SCHEMBL28031739

CC1=C(/C(=C\C(=O)O)C(=O)O)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.49
CDC25B P30305 4/20 0.43
S100A4 P26447 3/20 0.43
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CDC25A P30304 3/20 0.41
MAP2K7 O14733 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
FGFR1 P11362 4/20 0.40

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
SCHEMBL2901813 0.77 FGFR1 (0.58) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL27460293 0.73 HSP90AA1 (0.59) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL30583758 0.73 HSP90AA1 (0.59) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL7098579 0.73 ALDH1A1 (0.62) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL13442857 0.70 APEX1 (0.47) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL23001405 0.69 CDC25B (0.46) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL4103689 0.69 ALDH1A1 (0.50) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL12834560 0.69 KMT2A (0.59) APEX1CDC25BS100A4KDM4EAPAF1
SCHEMBL29941466 0.67 CDC25B (0.68) CDC25BS100A4KDM4EAPAF1ALDH1A1
SCHEMBL571026 0.67 CDC25B (0.68) CDC25BS100A4KDM4EAPAF1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429272-A For producing the method and material of 7 carbon compounds by C9 approach 英威达纺织(英国)有限公司 2017-12-01 CN claimed
CN-107636156-A The method that 6 carbon monomers are produced by 8 carbon compounds 英威达纺织(英国)有限公司 2018-01-26 CN disclosed
CN-107429272-A For producing the method and material of 7 carbon compounds by C9 approach 英威达纺织(英国)有限公司 2017-12-01 CN disclosed
CN-105073214-A Methods of producing 6-carbon chemicals via methyl-ester shielded carbon chain elongation INVISTA TECH SARL 2015-11-18 CN disclosed