SCHEMBL19007780

SCHEMBL19007780

CCCCOC(=O)C(C)(C)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSK P43235 2/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16672871 0.88 CTSK (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL22122650 0.88 AKR1B10 (0.50) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL16672634 0.85 AKR1B10 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15419571 0.84 MMP8 (0.54) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28554059 0.84 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL16682468 0.82 LMNA (0.57) ALDH1A1LMNANPC1RAB9ACTSK
SCHEMBL22472263 0.81 S1PR1 (0.47) TSHRALDH1A1LMNAS1PR4S1PR1
SCHEMBL28123734 0.79 MMP8 (0.58) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL22812898 0.79 ALDH1A1 (0.52) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL11860437 0.79 CYP4F2 (0.53) L3MBTL1MAPK1ALDH1A1LMNA

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-20170174941-A1 ASSEMBLY OF TIMEPIECE PARTS ASSEMBLED USING REPOSITIONABLE HOT MELT ADHESIVE AND PROCESS FOR ASSEMBLING AND REPOSITIONING SUCH PARTS THE SWATCH GROUP RESEARCH AND DEVELOPMENT LTD (CH) 2017-06-22 US disclosed