SCHEMBL4455021

SCHEMBL4455021

Cc1cccc(OP(=O)(O)CC=O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.39
POLB P06746 3/20 0.39
HTR1B P28222 1/20 0.37
SRC P12931 2/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
INPPL1 O15357 1/20 0.36

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
SCHEMBL3891198 0.86 MAPT (0.53) MAPTALDH1A1POLBHTR1BRAB9A
SCHEMBL4448591 0.85 MAPT (0.51) MAPTALDH1A1POLBHTR1BSRC
SCHEMBL4451707 0.82 MAPT (0.49) MAPTALDH1A1POLBHTR1BRAB9A
SCHEMBL4136914 0.82 MAPT (0.59) MAPTALDH1A1POLBHTR1BRAB9A
SCHEMBL4453687 0.79 MAPT (0.56) MAPTALDH1A1POLBHTR1BRAB9A
SCHEMBL4451700 0.79 MAPT (0.59) MAPTALDH1A1POLBHTR1BSRC
SCHEMBL759513 0.78 MAPT (0.67) MAPTALDH1A1POLBHTR1BSRC
SCHEMBL497309 0.78 MAPT (0.67) MAPTALDH1A1POLBHTR1BRAB9A
SCHEMBL29429257 0.78 MAPT (0.67) MAPTALDH1A1POLBHTR1BSRC
SCHEMBL3891403 0.77 MAPT (0.53) MAPTALDH1A1POLBHTR1BRAB9A

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