SCHEMBL7868630

SCHEMBL7868630

N#CC(NC(=O)CCC(=O)O)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
MME P08473 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
EEF2K O00418 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7865908 0.83 HTT (0.43) MMEL3MBTL1CYP1A2CYP2C19
SCHEMBL7865923 0.83 MME (0.44) MMEGAAL3MBTL1CYP1A2CYP2C19
SCHEMBL7867488 0.81 MME (0.43) MMEL3MBTL1CYP1A2CYP2C19
SCHEMBL28496585 0.78 MC4R (0.43) CNR2SMN1; SMN2EEF2KGAAKMT2A
SCHEMBL7872426 0.77 MME (0.48) CNR2MMESMN1; SMN2
SCHEMBL7865403 0.76 MME (0.47) CNR2MMEKMT2AITGB3ITGA2B
SCHEMBL21632189 0.75 CCR1 (0.43) CNR2EEF2KGAAKMT2ACYP1A2
SCHEMBL7865912 0.73 CYP1A2 (0.51) MMEKMT2ACYP1A2CYP2C19
SCHEMBL7872465 0.71 MME (0.48) CNR2MMEKMT2AITGB3ITGA2B
SCHEMBL7872404 0.71 CTSK (0.47) CNR2MMESMN1; SMN2CYP1A2CYP2C19

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
EP-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 WO disclosed