SCHEMBL4458081

SCHEMBL4458081

O=P(CCCO)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
KLK8 O60259 2/20 0.48
PLAU P00749 2/20 0.48
KLK2 P20151 2/20 0.48
KLK4 Q9Y5K2 2/20 0.48
BTN3A1 O00481 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40

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
SCHEMBL4453721 0.94 SRC (0.48) SRCKLK8PLAUKLK2KLK4
SCHEMBL2595713 0.90 SRC (0.54) SRCKLK8PLAUKLK2KLK4
SCHEMBL4452187 0.88 SRC (0.54) SRCKLK8PLAUKLK2KLK4
SCHEMBL8370393 0.88 SRC (0.52) SRCKLK8PLAUKLK2KLK4
SCHEMBL4564484 0.85 SRC (0.50) SRCBTN3A1L3MBTL1TDP1GAA
Hydrochloric Acid SCHEMBL7526008 0.84 SRC (0.48) SRCKLK8PLAUKLK2KLK4
SCHEMBL1822019 0.83 SRC (0.56) SRCKLK8PLAUKLK2KLK4
SCHEMBL29223938 0.83 BTN3A1 (0.42) SRCKLK8PLAUKLK2KLK4
SCHEMBL4456003 0.81 L3MBTL1 (0.50) SRCL3MBTL1
SCHEMBL3988025 0.81 SRC (0.45) SRCKLK8PLAUKLK2KLK4

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