SCHEMBL5085515

SCHEMBL5085515

O=CCCP(=O)(O)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
METAP1 P53582 1/20 0.36
SRC P12931 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5509358 0.77 CA12 (0.39) CA12CA1CA2MMP1MMP2
SCHEMBL5087334 0.76 CA12 (0.38) CA12CA1CA2MMP1MMP2
SCHEMBL5093197 0.74 CA12 (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL8286618 0.74 CA12 (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL10901126 0.74 LMNA (0.43) CA12CA1CA2MMP1MMP2
SCHEMBL398615 0.74 GABBR2 (0.47) METAP1CYP1A2CYP3A4
SCHEMBL5379957 0.71 METAP1 (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL2951190 0.71 METAP1 (0.49) CA12CA1CA2MMP1MMP2
SCHEMBL2331815 0.71 METAP1 (0.50) CA12CA1CA2MMP1MMP2
SCHEMBL2954900 0.70 METAP1 (0.47) CA12CA1CA2MMP1MMP2

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-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 WO disclosed