SCHEMBL4453718

SCHEMBL4453718

O=CCCCP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.46
SRC P12931 1/20 0.42
KLK8 O60259 2/20 0.42
PLAU P00749 2/20 0.42
KLK2 P20151 2/20 0.42
KLK4 Q9Y5K2 2/20 0.42
AOX1 Q06278 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3151501 0.89 BTN3A1 (0.51) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL2595713 0.87 SRC (0.54) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL8370393 0.85 SRC (0.52) BTN3A1SRCKLK8PLAUKLK2
Hydrochloric Acid SCHEMBL7526008 0.81 SRC (0.48) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL1822019 0.80 SRC (0.56) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL3988025 0.78 SRC (0.45) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL8690451 0.78 SRC (0.45) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL4456003 0.78 L3MBTL1 (0.50) SRCL3MBTL1
SCHEMBL7646578 0.78 SRC (0.45) BTN3A1SRCKLK8PLAUKLK2
SCHEMBL8586128 0.78 SRC (0.45) BTN3A1SRCKLK8PLAUKLK2

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