SCHEMBL7860940

SCHEMBL7860940

N#CC(NC(=O)CCC(=O)O)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
MME P08473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CTSA P10619 1/20 0.37
F7 P08709 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANPEP P15144 1/20 0.36

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 0.84 MME (0.43) MMEALDH1A1L3MBTL1
SCHEMBL7865926 0.84 KMT2A (0.48) HPGDMMEALDH1A1ATM
SCHEMBL7865403 0.84 MME (0.47) MMEANPEP
SCHEMBL7872404 0.83 CTSK (0.47) MMEMAPK1ANPEP
SCHEMBL9704385 0.79 CYP1A2 (0.44) HPGDALDH1A1L3MBTL1
SCHEMBL7865912 0.79 CYP1A2 (0.51) MMEATM
SCHEMBL7865908 0.76 HTT (0.43) MMEATML3MBTL1
SCHEMBL7872465 0.75 MME (0.48) MMEALDH1A1LMNAHSD17B10
SCHEMBL7872426 0.75 MME (0.48) HPGDMMEALDH1A1LMNAANPEP
SCHEMBL7867497 0.72 CNR2 (0.45) HPGDALDH1A1MAPK1FFAR1L3MBTL1

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