SCHEMBL27636742

SCHEMBL27636742

CCCCCOC(=Cc1ccccc1)C(=O)CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 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
SCHEMBL10350181 0.85 LMNA (0.54) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL8092299 0.85 LMNA (0.54) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL5176548 0.85 LMNA (0.54) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL538804 0.85 LMNA (0.54) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL27946955 0.84 CES2 (0.50) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL10497654 0.83 CES2 (0.51) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL9716955 0.83 ALDH1A1 (0.51) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL5078093 0.82 TDP1 (0.51) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL5549124 0.82 LMNA (0.46) TSHRLMNATP53CYP3A4MAPK1
SCHEMBL8160297 0.81 TSHR (0.47) TSHRLMNATP53CYP3A4MAPK1

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
CN-1825206-A Negative resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2006-08-30 CN disclosed