SCHEMBL4448591

SCHEMBL4448591

Cc1cccc(OP(=O)(O)CCC=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 1/20 0.37
AOX1 Q06278 1/20 0.36
POLB P06746 3/20 0.35
SRC P12931 2/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALPL P05186 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4451707 0.92 MAPT (0.49) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4455021 0.85 MAPT (0.54) MAPTHTR1BALDH1A1POLBSRC
SCHEMBL4453687 0.83 MAPT (0.56) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL3891403 0.81 MAPT (0.53) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4136914 0.80 MAPT (0.59) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL3891198 0.78 MAPT (0.53) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4448502 0.77 AOX1 (0.38) AOX1SRCINPPL1INPP5BINPP5A
SCHEMBL4451700 0.76 MAPT (0.59) MAPTHTR1BALDH1A1POLBSRC
SCHEMBL497309 0.76 MAPT (0.67) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL759513 0.76 MAPT (0.67) MAPTHTR1BALDH1A1POLBSRC

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