SCHEMBL4450156

SCHEMBL4450156

O=P(OC1CCCCC1)(OC1CCCCC1)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.40
EPHX1 P07099 2/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NAAA Q02083 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 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
SCHEMBL4460748 0.90 NPSR1 (0.37) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4455349 0.85 NPSR1 (0.45) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4459824 0.82 NPSR1 (0.43) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4454142 0.79 NPSR1 (0.53) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL10831669 0.79 NPSR1 (0.53) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL10832552 0.77 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL12076280 0.76 NPSR1 (0.58) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4448534 0.74 NPSR1 (0.35) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL10832931 0.73 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4454070 0.72 NPSR1 (0.33) NPSR1MEN1KMT2ALMNAGAA

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