SCHEMBL7872426

SCHEMBL7872426

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
HTT P42858 3/20 0.48
FOLH1 Q04609 3/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALPG P10696 2/20 0.42
ANPEP P15144 1/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
EPHX2 P34913 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) MMEALDH1A1CTSS
SCHEMBL7872404 0.85 CTSK (0.47) MMESMN1; SMN2ANPEPCNR2KDM4E
SCHEMBL7872465 0.85 MME (0.48) MMELMNAALDH1A1CNR2
SCHEMBL7865403 0.83 MME (0.47) MMEHTTFOLH1ANPEPCNR2
SCHEMBL22806325 0.81 ALDH1A1 (0.49) HTTLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL7865912 0.78 CYP1A2 (0.51) MME
SCHEMBL7868630 0.77 CNR2 (0.46) MMESMN1; SMN2CNR2
SCHEMBL7860940 0.75 HPGD (0.40) MMELMNAALDH1A1ANPEPHPGD
SCHEMBL7865926 0.75 KMT2A (0.48) MMESMN1; SMN2ALDH1A1HPGD
SCHEMBL7865923 0.71 MME (0.44) MMEHTTALDH1A1NPSR1KDM4E

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