SCHEMBL7753994

SCHEMBL7753994

CCC(C)C(C)O.CCC(C)C(C)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TRPA1 O75762 1/20 0.32
MME P08473 2/20 0.30
ACE P12821 2/20 0.30
CPA1 P15085 2/20 0.30
ACE2 Q9BYF1 2/20 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
SCHEMBL12387807 1.00
SCHEMBL14928534 1.00
SCHEMBL1462465 1.00
SCHEMBL14928537 1.00
SCHEMBL12387819 1.00
SCHEMBL12387806 1.00
SCHEMBL7882796 1.00
SCHEMBL1463143 1.00
SCHEMBL26336 1.00
SCHEMBL10363687 0.96

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