SCHEMBL29442899

SCHEMBL29442899

COc1cc(-c2oc3c(OC)cc(CCCOC(C)=O)cc3c2C)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.49
MET P08581 3/20 0.43
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41
CSNK2A1 P68400 3/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ACHE P22303 2/20 0.40
ALOX5 P09917 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL21852141 0.77 TNKS2 (0.66) TNKS2METMTNR1AMTNR1BALOX5
SCHEMBL29699646 0.74 MEN1 (0.41) TNKS2CSNK2A2CSNK2BCSNK2A1MTNR1A
SCHEMBL3486438 0.74 MEN1 (0.41) TNKS2CSNK2A2CSNK2BCSNK2A1MTNR1A
SCHEMBL1976272 0.73 MEN1 (0.53) ALOX5ALDH1A1KDM4EMEN1LMNA
SCHEMBL1973909 0.73 MEN1 (0.53) ALOX5ALDH1A1KDM4EMEN1LMNA
SCHEMBL18225869 0.71 ACHE (0.61) TNKS2ACHEALDH1A1KDM4EMEN1
SCHEMBL8169870 0.71 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1ALOX5ALDH1A1
SCHEMBL7197872 0.70 XDH (0.56) CSNK2A2CSNK2BCSNK2A1ALOX5ALDH1A1
SCHEMBL7197568 0.70 ESR1 (0.45) CSNK2A2CSNK2BCSNK2A1ALOX5ALDH1A1
SCHEMBL7197558 0.70 ESR1 (0.45) CSNK2A2CSNK2BCSNK2A1ALOX5ALDH1A1

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-114184727-B Identification method of three medicinal materials from gleditsia sinensis and application thereof 天津中医药大学 2023-04-25 CN disclosed
CN-114184727-A Identification method of three medicinal materials derived from gleditschia horrida and application thereof 天津中医药大学 2022-03-15 CN disclosed