SCHEMBL4454572

SCHEMBL4454572

CCCCc1ccccc1P(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
BCHE P06276 3/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 2/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4456055 0.93 LIPG (0.34) CNR1CNR2TSHR
SCHEMBL4448582 0.92 KMT2A (0.36) CNR1CNR2NPSR1MEN1KMT2A
SCHEMBL4454286 0.88 MEN1 (0.38) CNR1CNR2NPSR1MEN1KMT2A
SCHEMBL4456122 0.87 TSHR (0.39) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4458146 0.84 ADRA2A (0.35) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL4458037 0.81 PTGS2 (0.32) CNR1CNR2MEN1KMT2A
SCHEMBL4458061 0.80 MEN1 (0.36) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4450443 0.79 CTSB (0.36) NPSR1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4454288 0.79 MEN1 (0.39) CNR1CNR2NPSR1MEN1KMT2A
SCHEMBL4461969 0.78 KMT2A (0.38) 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