SCHEMBL7755334

SCHEMBL7755334

CCCC(C)CCO.CCCC(C)CCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
TRPA1 O75762 1/20 0.37
LMNA P02545 3/20 0.35
OPRM1 P35372 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL497428 1.00
SCHEMBL8013962 1.00
SCHEMBL8008044 1.00
SCHEMBL1659013 0.97 TSHR (0.60) TSHRALDH1A1ALOX15TRPA1LMNA
SCHEMBL27545675 0.97
SCHEMBL30629411 0.92 TSHR (0.55) TSHRALDH1A1ALOX15TRPA1LMNA
SCHEMBL26038 0.88 TSHR (0.57) TSHRALDH1A1ALOX15TRPA1LMNA
SCHEMBL28762 0.87
SCHEMBL23561576 0.86 TSHR (0.55) TSHRALDH1A1ALOX15TRPA1LMNA
SCHEMBL11059751 0.83 ALDH1A1 (0.55) TSHRALDH1A1ALOX15TRPA1LMNA

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