SCHEMBL4454142

SCHEMBL4454142

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACHE P22303 1/20 0.45
FDPS P14324 1/20 0.38
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 0.32
EPHX1 P07099 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL4449142 0.88 NPSR1 (0.41) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL10831669 0.86 NPSR1 (0.53) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL12076280 0.83 NPSR1 (0.58) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4450156 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL10832552 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL10832931 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL9614567 0.77 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4455349 0.77 NPSR1 (0.45) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL9614631 0.76 ACHE (0.43) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL28982525 0.76 NPSR1 (0.51) 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