SCHEMBL4756046

SCHEMBL4756046

Cc1cc(=O)c(O)c(CCO)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
TYR P14679 2/20 0.38
KDM4E B2RXH2 2/20 0.35
KDM6A O15550 1/20 0.35
KDM4A O75164 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
DOHH Q9BU89 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
COMT P21964 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7554482 0.85 MMP1 (0.40) MMP1MMP7MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL6989988 0.84 MMP1 (0.39) MMP1MMP7MMP9MMP8MMP13
SCHEMBL2606738 0.81 TYR (0.47) MMP1MMP7MMP9MMP8MMP13
SCHEMBL15578471 0.80 MMP1 (0.39) MMP1MMP7MMP9MMP8MMP13
SCHEMBL30310977 0.80 TYR (0.42) MMP1MMP7MMP9MMP8MMP13
SCHEMBL7546323 0.77 MMP1 (0.37) MMP1MMP7MMP9MMP8MMP13
SCHEMBL20026452 0.77 KDM4E (0.47) MMP1MMP7MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL6992670 0.76 MMP1 (0.36) MMP1MMP7MMP9MMP8MMP13
SCHEMBL2118852 0.76 MMP1 (0.36) MMP1MMP7MMP9MMP8MMP13
SCHEMBL12249884 0.75 MMP1 (0.36) MMP1MMP7MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154705-A1 TRANSDERMAL DELIVERY OF ACTIVE AGENTS APOLLO LIFE SCIENCES LIMITED (AU) 2008-12-24 WO disclosed
EP-1978997-A1 TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS Apollo Life Sciences Limited (AU) 2008-10-15 EP disclosed
WO-2007070983-A1 TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS APOLLO LIFE SCIENCES LIMITED (AU) 2007-06-28 WO disclosed