SCHEMBL4451868

SCHEMBL4451868

O=P(OC1CC1)(OC1CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CFTR P13569 1/20 0.40
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA5A P35218 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
ACHE P22303 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
SCHEMBL22322008 0.91 ALDH1A1 (0.44) L3MBTL1TDP1CFTRSMN1; SMN2GAA
SCHEMBL779674 0.90 L3MBTL1 (0.44) L3MBTL1TDP1CFTRCA2CA4
SCHEMBL20710821 0.80 MEN1 (0.44) L3MBTL1CA2CA4CA5ASMN1; SMN2
SCHEMBL20710764 0.79 MEN1 (0.43) L3MBTL1TDP1CA2CA4CA5A
SCHEMBL779638 0.78 MEN1 (0.43) L3MBTL1TDP1CA2CA4CA5A
SCHEMBL4126513 0.72 TDP1 (0.43) L3MBTL1TDP1CFTRCA2CA4
SCHEMBL22322009 0.72 ALDH1A1 (0.43) CFTRCA2CA4CA5ASMN1; SMN2
SCHEMBL4454953 0.72 MEN1 (0.33) TSHRMEN1KMT2AALDH1A1ACHE
SCHEMBL11340663 0.72 NPSR1 (0.42) L3MBTL1TDP1CA2CA4CA5A
SCHEMBL3887658 0.71 MEN1 (0.56) L3MBTL1SMN1; SMN2GAAALOX15TSHR

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