SCHEMBL7872465

SCHEMBL7872465

N#CC(NC(=O)CCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.48
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 3/20 0.39
SLC6A9 P48067 3/20 0.39
SLC6A5 Q9Y345 3/20 0.39
CYP2D6 P10635 2/20 0.39
MMEL1 Q495T6 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7867488 0.86 MME (0.43) MMEALDH1A1CYP1A2CYP2C19
SCHEMBL7872426 0.85 MME (0.48) MMECNR2ALDH1A1LMNA
SCHEMBL7872404 0.85 CTSK (0.47) MMECNR2CYP1A2CYP2C19TSHR
SCHEMBL7865926 0.83 KMT2A (0.48) MMEALDH1A1MMEL1MEN1KMT2A
SCHEMBL7867497 0.82 CNR2 (0.45) CNR2ALDH1A1NFKB1KMT2A
SCHEMBL7865912 0.78 CYP1A2 (0.51) MMECYP1A2CYP2C19KMT2AUTS2R
SCHEMBL7865923 0.77 MME (0.44) MMEALDH1A1CYP1A2CYP2C19
SCHEMBL7860940 0.75 HPGD (0.40) MMEALDH1A1HSD17B10LMNA
SCHEMBL7865403 0.75 MME (0.47) MMECNR2SLC6A9SLC6A5MMEL1
SCHEMBL5684944 0.73 KMT2A (0.56) ALDH1A1LMNAMEN1KMT2AUTS2R

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