SCHEMBL4732473

SCHEMBL4732473

COC(=O)C(=CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
TSHR P16473 1/20 0.48
AKT1 P31749 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL4007049 0.87 TSHR (0.50) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL4007052 0.87 TSHR (0.50) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL3681269 0.85 TSHR (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL77733 0.85 TSHR (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Methane SCHEMBL534895 0.85 TSHR (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6394005 0.85 TSHR (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3310563 0.83 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL2232370 0.83 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL2232374 0.83 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL28546110 0.83 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A

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
WO-2008060844-A1 POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE ALBEMARLE CORPORATION (US) 2008-05-22 WO disclosed