SCHEMBL28140482

SCHEMBL28140482

O=C(O)C(c1cccc2ccccc12)C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
ACP3 P15309 5/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 1/20 0.46
CTNNB1 P35222 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CDC25B P30305 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
WDR5 P61964 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
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
SCHEMBL6243896 0.91 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL5511628 0.89 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL11479796 0.89 ACP3 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL1669623 0.86 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL6051357 0.83 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL328867 0.83 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL8842742 0.83 ACP3 (0.56) ALDH1A1ACP3CTSGCMA1
SCHEMBL10268819 0.83 ACE (0.51) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL4954667 0.82 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL1665813 0.82 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106718879-B The inducing culture and abductive approach of a kind of Radix zanthoxyli callus and application 华南农业大学 2018-11-02 CN disclosed
CN-106508683-B The tissue culture culture medium and cultural method of a kind of Radix zanthoxyli regrowth 广州中医药大学 2018-03-20 CN disclosed
CN-106508683-A A kind of tissue culture culture medium of Radix Zanthoxyli regrowth and cultural method 广州中医药大学 2017-03-22 CN disclosed