SCHEMBL29036786

SCHEMBL29036786

COCOc1ccc(CCCCO)nc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.43
CYP4F2 P78329 4/20 0.43
S1PR4 O95977 1/20 0.39
EGFR P00533 2/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PTPN1 P18031 1/20 0.34
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 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
SCHEMBL30503241 1.00 CYP4A11 (0.43) CYP4A11CYP4F2S1PR4EGFRPOLB
SCHEMBL30503300 0.99 CYP4A11 (0.42) CYP4A11CYP4F2S1PR4EGFRPOLB
SCHEMBL29036769 0.99 CYP4A11 (0.42) CYP4A11CYP4F2S1PR4EGFRPOLB
SCHEMBL22335921 0.87 CYP4A11 (0.47) CYP4A11CYP4F2S1PR4POLBNPSR1
SCHEMBL30503249 0.81 KDM4E (0.40) KDM4E
SCHEMBL29036794 0.81 KDM4E (0.40) KDM4E
SCHEMBL22335790 0.80 CYP4A11 (0.48) CYP4A11CYP4F2S1PR4POLBNPSR1
SCHEMBL22325483 0.79 CYP4A11 (0.47) CYP4A11CYP4F2POLBNPSR1KDM4E
SCHEMBL26192280 0.79 CYP4A11 (0.47) CYP4A11CYP4F2POLBNPSR1KDM4E
SCHEMBL30503285 0.76 S1PR4 (0.36) CYP4A11CYP4F2S1PR4EGFRPOLB

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-116472267-A Butyrylcholinesterase reactivating agent 法兰西国由中央军队卫生服务局代表 2023-07-21 CN disclosed