SCHEMBL6443672

SCHEMBL6443672

C=CC(CC(CC)CCCC)OS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.31
LMNA P02545 2/20 0.31
CA1 P00915 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6443667 0.88 TSHR (0.43) TSHRRECQLALDH1A1CYP3A4TDP1
SCHEMBL15819399 0.84 TSHR (0.37) TSHRRECQLCA2TP53CA1
SCHEMBL2365214 0.84 TSHR (0.40) TSHRRECQLALDH1A1CYP3A4TDP1
SCHEMBL27610479 0.79 TP53 (0.43) TSHRTP53LMNA
SCHEMBL7023430 0.79 TSHR (0.45) TSHRRECQLALDH1A1CYP3A4TDP1
SCHEMBL15610478 0.78 TSHR (0.39) TSHRRECQLALDH1A1CYP3A4TDP1
SCHEMBL10618168 0.78 TP53 (0.42) TP53LMNA
SCHEMBL11125680 0.78 TP53 (0.42) TP53LMNA
SCHEMBL777709 0.76
SCHEMBL5248267 0.76 RECQL (0.50) TSHRRECQLALDH1A1CYP3A4TDP1

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
US-20050049328-A1 Surface film with depositing function, the production and use thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-03-03 US disclosed