SCHEMBL5587207

SCHEMBL5587207

OC(O)CCc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ANPEP P15144 2/20 0.34
ERAP1 Q9NZ08 2/20 0.34
ERAP2 Q6P179 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACP3 P15309 1/20 0.33
DPP4 P27487 1/20 0.33
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20483112 0.82 ANPEP (0.36) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8845221 0.82 TYR (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6199970 0.80 THRB (0.37) MMP12MMP13MMP2MMP9MMP14
SCHEMBL598212 0.77 TDP1 (0.55) ANPEPERAP1ERAP2SLC6A2SLC6A4
SCHEMBL188351 0.77 KDM4E (0.32)
SCHEMBL24072 0.76 AOC3 (0.34) TSHRCYP2C19
SCHEMBL1029459 0.76 TAAR1 (0.30)
SCHEMBL6576818 0.76 GFER (0.40) KCNH2TDP1
SCHEMBL8473980 0.76 KCNH2 (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL317160 0.76 PPARG (0.44) ANPEPERAP1ERAP2SLC6A2SLC6A4

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
US-7202001-B2 Sulfonated copolymer POLYFUEL, INC. (US) 2007-04-10 US claimed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed