SCHEMBL7753346

SCHEMBL7753346

CCCC(C)CO.CCCC(C)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CYP3A4 P08684 3/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
FDPS P14324 1/20 0.33
METAP1 P53582 1/20 0.32

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
SCHEMBL1204819 1.00
SCHEMBL1203795 1.00
SCHEMBL22659 1.00
SCHEMBL10786900 0.97
Ammonia Solution, Strong SCHEMBL11075353 0.97 TSHR (0.94) TSHRLMNATDP1ALDH1A1CHRM1
SCHEMBL8617109 0.97
SCHEMBL10629921 0.97
SCHEMBL10632079 0.97
Alcohol SCHEMBL3854623 0.97 TSHR (0.94) TSHRLMNATDP1ALDH1A1CHRM1
Ammonia Solution, Strong SCHEMBL11075783 0.97 TSHR (0.94) TSHRLMNATDP1ALDH1A1CHRM1

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-2001044145-A1 METHOD FOR THE MANUFACTURE OF OLEFINS FORTUM OIL AND GAS OY (FI) 2001-06-21 WO disclosed