SCHEMBL7867488

SCHEMBL7867488

N#CC(NC(=O)CCC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSS P25774 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSC P53634 2/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL7872404 0.86 CTSK (0.47) MMECYP1A2CYP2C19
SCHEMBL7872426 0.86 MME (0.48) MMECTSSALDH1A1
SCHEMBL7872465 0.86 MME (0.48) MMECYP1A2CYP2C19ALDH1A1
SCHEMBL7865912 0.84 CYP1A2 (0.51) MMECYP1A2CYP2C19
SCHEMBL7860940 0.84 HPGD (0.40) MMEL3MBTL1ALDH1A1
SCHEMBL7865403 0.84 MME (0.47) MME
SCHEMBL7865926 0.84 KMT2A (0.48) MMEALDH1A1ACE
SCHEMBL7867497 0.83 CNR2 (0.45) L3MBTL1MAPTALDH1A1
SCHEMBL11256931 0.82 ALDH1A1 (0.54) MAPTCTSSALDH1A1CTSC
SCHEMBL7932238 0.82 CTSS (0.42) CTSSALDH1A1CTSC

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