SCHEMBL7189264

SCHEMBL7189264

C=C(C)C(=O)OC(COc1ccc(C)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FFAR1 O14842 1/20 0.41
MAOB P27338 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 4/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 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
SCHEMBL1803446 0.88 MAPT (0.40) MEN1KMT2APOLBMAPTHTT
SCHEMBL27683333 0.88 MTNR1A (0.44) L3MBTL1POLBMAPTHTTPPARG
SCHEMBL1468098 0.87 AR (0.46) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL27538146 0.85 POLB (0.33) MEN1KMT2APOLBMAPTHTT
SCHEMBL4191438 0.83 L3MBTL1 (0.41) MEN1KMT2AMAOBL3MBTL1POLB
SCHEMBL5223398 0.83 AR (0.43) MEN1KMT2AFFAR1MAOBPOLB
SCHEMBL8957781 0.80 AR (0.43) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL9915780 0.79 POLB (0.41) MEN1KMT2AMAOBL3MBTL1POLB
SCHEMBL5779539 0.79 USP2 (0.45) MEN1KMT2AFFAR1L3MBTL1MAPT
SCHEMBL14984812 0.78 ELANE (0.43) MEN1KMT2APOLBMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149230-A1 Polythiol compound MITSUI CHEMICALS, INC. (JP) 2003-08-07 US disclosed