SCHEMBL5329020

SCHEMBL5329020

CCOC(=O)C(Cc1ccc(C#N)cc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
CYP2A6 P11509 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSG P08311 1/20 0.40
TP53 P04637 1/20 0.40
ACACB O00763 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2672524 0.92 MMP8 (0.50) MMP8CYP2A6RAB9AMAPTTDP1
SCHEMBL4028528 0.90 MMP8 (0.51) MMP8CYP2A6RAB9AMAPTTDP1
SCHEMBL533901 0.87 MMP8 (0.46) MMP8CYP2A6RAB9AMAPTTDP1
SCHEMBL4071057 0.86 LOXL2 (0.50) CYP2A6RAB9AMAPTLOXL2MAOB
SCHEMBL5109806 0.84 DPP4 (0.47) CYP2A6RAB9AMAPTTDP1LOXL2
SCHEMBL6161194 0.84 DPP4 (0.47) CYP2A6RAB9AMAPTTDP1LOXL2
SCHEMBL10707875 0.83 PDCD1 (0.46) MMP8TDP1MAOBTSHRMAPK1
SCHEMBL5326604 0.83 MMP8 (0.53) MMP8MAPTTDP1SMN1; SMN2TSHR
SCHEMBL2050344 0.83 MMP8 (0.53) MMP8RAB9AMAPTTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL5148984 0.82 DPP4 (0.46) CYP2A6RAB9AMAPTTDP1LOXL2

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
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 WO disclosed