SCHEMBL4455346

SCHEMBL4455346

CC(=O)C(=O)P(=O)(O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 2/20 0.35
MMP2 P08253 7/20 0.34
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
MMP1 P03956 3/20 0.34
MMP8 P22894 2/20 0.34
MMP3 P08254 2/20 0.34
LMNA P02545 1/20 0.34
NAAA Q02083 1/20 0.33
HTT P42858 1/20 0.32
MMP9 P14780 1/20 0.32
FDPS P14324 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
SCHEMBL4448532 0.90 INPP5A (0.36) ACHE
SCHEMBL4459821 0.79 ACHE (0.42) ACHENPSR1MEN1KMT2AGAA
SCHEMBL7048419 0.75 ACHE (0.48) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4450154 0.74 ACHE (0.40) ACHENPSR1MEN1KMT2AGAA
SCHEMBL1091759 0.74 ACHE (0.57) ACHENPSR1MEN1KMT2AGAA
SCHEMBL15106222 0.73 INPP5A (0.50) ACHENPSR1MEN1KMT2AGAA
SCHEMBL14412710 0.73 INPP5A (0.50) ACHENPSR1MEN1KMT2AGAA
SCHEMBL15105636 0.73 INPP5A (0.50) ACHENPSR1MEN1KMT2AGAA
SCHEMBL270557 0.73 ACHE (0.50) ACHENPSR1MEN1KMT2AGAA
SCHEMBL342838 0.73 INPP5A (0.50) ACHENPSR1MEN1KMT2AGAA

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