SCHEMBL5087329

SCHEMBL5087329

CCC(O)P(=O)(O)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.40
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MMP2 P08253 3/20 0.37
CA9 Q16790 3/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
SHBG P04278 1/20 0.33
FDPS P14324 2/20 0.32
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 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
SCHEMBL5093193 0.80 METAP1 (0.39) METAP1CA12CA1CA2MMP2
SCHEMBL3420297 0.79 METAP1 (0.45) METAP1CA12CA1CA2MMP2
SCHEMBL5379959 0.79 METAP1 (0.41) METAP1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL5372878 0.77 METAP1 (0.44) METAP1CA12CA1CA2MMP2
SCHEMBL14559784 0.75 CYP1A2 (0.48) METAP1CA12CA1CA2MMP2
SCHEMBL14559785 0.75 CYP1A2 (0.48) METAP1CA12CA1CA2MMP2
SCHEMBL10901117 0.74 MMP2 (0.41) METAP1CA12CA1CA2MMP2
SCHEMBL8732595 0.71 MMP2 (0.48) METAP1CA12CA1CA2MMP2
SCHEMBL2331815 0.71 METAP1 (0.50) METAP1CA12CA1CA2MMP2
SCHEMBL5509358 0.69 CA12 (0.39) METAP1CA12CA1CA2MMP2

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