SCHEMBL7754295

SCHEMBL7754295

CCC(C)CCO.CCC(C)CCO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 4/20 0.43
TRPA1 O75762 1/20 0.38
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL14990 1.00
SCHEMBL8998657 1.00
SCHEMBL2171713 1.00
SCHEMBL1658149 0.94 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRTRPA1THRB
SCHEMBL5373841 0.91 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRTRPA1
Methyl Alcohol SCHEMBL11221220 0.91 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRTRPA1
SCHEMBL1658821 0.89 LMNA (0.43) ALDH1A1ALOX15TSHRTRPA1LMNA
SCHEMBL11551384 0.87 LMNA (0.42) ALDH1A1ALOX15TSHRTRPA1LMNA
SCHEMBL27945563 0.87 ACE2 (0.42) ALDH1A1ALOX15TSHRTRPA1LMNA
SCHEMBL963231 0.85 TRPA1 (0.43) ALDH1A1ALOX15TSHRTRPA1

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