SCHEMBL29135596

SCHEMBL29135596

C=C(C(=O)O)c1ccc2c(c1)C1=C(CC(C)O1)C(=O)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.44
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
PTPRC P08575 2/20 0.35
S100A4 P26447 1/20 0.34
MAOA P21397 5/20 0.34
MAOB P27338 3/20 0.34
MALT1 Q9UDY8 1/20 0.33
TTR P02766 4/20 0.33
HSP90AA1 P07900 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29135713 0.78 STAT3 (0.53) STAT3MAOAMAOBMALT1TTR
SCHEMBL29135718 0.74 STAT3 (0.53) STAT3ALDH1A1KDM4EMAOAMAOB
Hydrochloric Acid SCHEMBL29135720 0.73 STAT3 (0.52) STAT3ALDH1A1KDM4EMAOAMAOB
SCHEMBL29135593 0.73 STAT3 (0.60) STAT3ALDH1A1KDM4EMAOBMALT1
SCHEMBL8043779 0.72 STAT3 (0.52) STAT3ALDH1A1KDM4ETDP1PTPRC
SCHEMBL30662473 0.72 STAT3 (0.52) STAT3ALDH1A1KDM4ETDP1PTPRC
SCHEMBL103969 0.72 STAT3 (0.52) STAT3ALDH1A1KDM4ETDP1PTPRC
SCHEMBL29199272 0.72 STAT3 (0.59) STAT3MAOAMAOBMALT1TTR
SCHEMBL29199282 0.68 STAT3 (0.67) STAT3ALDH1A1KDM4EMAOBMALT1
SCHEMBL31177969 0.64 MAOA (0.54) STAT3ALDH1A1KDM4EHPGDTDP1

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-117105894-A Preparation method and application of cryptotanshinone compound 中国人民解放军海军军医大学 2023-11-24 CN disclosed