SCHEMBL4451707

SCHEMBL4451707

Cc1cccc(OP(=O)(O)CCCC=O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTR1B P28222 1/20 0.37
POLB P06746 3/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALPL P05186 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4448591 0.92 MAPT (0.51) MAPTALDH1A1MEN1KMT2AHTR1B
SCHEMBL3891403 0.84 MAPT (0.53) MAPTALDH1A1PPARGPPARAMEN1
SCHEMBL4455021 0.82 MAPT (0.54) MAPTALDH1A1PPARGPPARDPPARA
SCHEMBL4453687 0.81 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHTR1B
SCHEMBL4455501 0.78 CETP (0.35) MAPTPPARA
SCHEMBL4136914 0.77 MAPT (0.59) MAPTALDH1A1MEN1KMT2AHTR1B
SCHEMBL4454722 0.77 PPARA (0.38) MAPTPPARGPPARA
SCHEMBL4454583 0.76 LTB4R (0.41) PPARGPPARDPPARA
SCHEMBL3891198 0.75 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHTR1B
SCHEMBL4451700 0.74 MAPT (0.59) MAPTALDH1A1MEN1KMT2AHTR1B

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