SCHEMBL14518643

SCHEMBL14518643

CCCCC1CC(=O)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
CYP19A1 P11511 1/20 0.31
TLR4 O00206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP2C9 P11712 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL2813595 0.92 CYP1A2 (0.40) CYP1A2ALDH1A1CYP19A1L3MBTL1SIRT2
SCHEMBL2812341 0.92 CYP1A2 (0.40) CYP1A2ALDH1A1CYP19A1L3MBTL1SIRT2
SCHEMBL10976699 0.87 MAPT (0.32) MAPTNOS1NOS2
SCHEMBL2689291 0.84
SCHEMBL10971582 0.80 CYP1A2 (0.36) CYP1A2ALDH1A1HPGDTP53CYP19A1
SCHEMBL2664446 0.78
SCHEMBL897428 0.78
SCHEMBL2691790 0.76 CYP1A2 (0.46) CYP1A2ALDH1A1CYP19A1L3MBTL1HTT
SCHEMBL3296884 0.76 CYP1A2 (0.46) CYP1A2ALDH1A1CYP19A1L3MBTL1HTT
SCHEMBL2690263 0.76 CYP1A2 (0.46) CYP1A2ALDH1A1CYP19A1L3MBTL1HTT

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-7199205-B2 Organopolysiloxane-modified polysaccharide and process for producing the same DOW CORNING TORAY SILICONE COMPANY, LTD. (JP) 2007-04-03 US disclosed