SCHEMBL16520314

SCHEMBL16520314

CCC(C)(C)CC(C)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
C3AR1 Q16581 1/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 6/20 0.38
SLC6A4 P31645 5/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL13115153 0.83 ADRB2 (0.41) ADRB2SLC6A2SLC6A3SLC6A4TSHR
SCHEMBL11910301 0.82 ADRB2 (0.46) ADRB2C3AR1SLC6A2SLC6A3SLC6A4
SCHEMBL22620371 0.81 ESR1 (0.50) SLC6A2SLC6A3TDP1LMNA
SCHEMBL821235 0.78 ESR1 (0.35) TSHR
SCHEMBL26239387 0.78 CYP2D6 (0.40) TSHRHIF1ALMNAPTGES2MEN1
SCHEMBL15468265 0.75 RIPK1 (0.40) TDP1MEN1KMT2AAOC3L3MBTL1
SCHEMBL14705838 0.74 ADRB2 (0.52) ADRB2C3AR1SLC6A2SLC6A3TSHR
SCHEMBL2632879 0.74 ADRB2 (0.52) ADRB2C3AR1SLC6A2SLC6A3TSHR
SCHEMBL10192291 0.74 ADRB2 (0.52) ADRB2C3AR1SLC6A2SLC6A3TSHR
SCHEMBL13749369 0.74 LMNA (0.37) TSHRMAPK1TDP1LMNAMEN1

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
EP-2239631-B1 Patterning process SHINETSU CHEMICAL CO (JP) 2015-02-25 EP disclosed