SCHEMBL28148702

SCHEMBL28148702

CC(=O)Cc1ccc(F)cc1CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 6/20 0.47
CYP3A4 P08684 1/20 0.40
MPO P05164 3/20 0.39
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
MAPK8 P45983 2/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL28147581 0.80 CYP3A4 (0.45) CYP3A4L3MBTL1MAOB
SCHEMBL15693830 0.79 ICMT (0.44) ICMT
SCHEMBL2090788 0.79 ICMT (0.46) ICMTMPOSLC6A4MAPK8
SCHEMBL14495394 0.79 P2RX7 (0.47) ICMTMPOSLC6A4MAOB
SCHEMBL14263434 0.78 RIPK1 (0.47) CYP3A4L3MBTL1MAOBMAPK8DPP4
SCHEMBL1699443 0.78 MAOB (0.51) MAOBIDO1AGXTMAPK8
SCHEMBL1115269 0.78 MAPK8 (0.52) ICMTMPOSLC6A4MAOBIDO1
SCHEMBL30148003 0.78 MAPK8 (0.52) ICMTMPOSLC6A4MAOBIDO1
SCHEMBL1115079 0.78 MAPK8 (0.52) ICMTMPOSLC6A4MAPK8DPP4
SCHEMBL28037697 0.78 CA3 (0.45) ICMTMPOSLC6A4MAPK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986832-A Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2017-07-28 CN disclosed