SCHEMBL4459821

SCHEMBL4459821

CCC(=O)C(=O)P(=O)(O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
EPHX1 P07099 1/20 0.40
NAAA Q02083 2/20 0.37
MMP2 P08253 7/20 0.36
MMP1 P03956 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
MMP3 P08254 2/20 0.33
MMP8 P22894 2/20 0.33
MMP9 P14780 1/20 0.33
LMNA P02545 1/20 0.32
ANPEP P15144 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
SCHEMBL4454066 0.91 INPP5A (0.33) MMP2MMP1
SCHEMBL4455346 0.79 ACHE (0.46) ACHEEPHX1NAAAMMP2MMP1
SCHEMBL4610863 0.74 ACHE (0.44) ACHEEPHX1NAAAMMP2MMP1
SCHEMBL23212142 0.73 ACHE (0.47) ACHEEPHX1NAAAMMP2MMP1
SCHEMBL4610681 0.72 ACHE (0.41) ACHEEPHX1NAAAMMP2MMP1
Butane SCHEMBL11537501 0.70 ACHE (0.44) ACHEEPHX1NAAAMMP2MMP1
SCHEMBL4450154 0.70 ACHE (0.40) ACHEEPHX1MMP2MMP1NPSR1
SCHEMBL10625218 0.70 ACHE (0.44) ACHEEPHX1NAAAMMP2MMP1
SCHEMBL1091759 0.70 ACHE (0.57) ACHEEPHX1MMP2MMP1NPSR1
SCHEMBL18186686 0.69 EPHX1 (0.53) EPHX1NAAAHTTCA12CA1

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed