SCHEMBL7630994

SCHEMBL7630994

CCCCCCCCC1CCCC1(O)CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
GBA1 P04062 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
GAA P10253 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
SCHEMBL31421560 0.98 TDP1 (0.37) TDP1EPHX1LMNAALDH1A1MEN1
SCHEMBL28717721 0.85 EPHX1 (0.34) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL8047946 0.85 EPHX1 (0.34) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL16766402 0.85 TDP1 (0.39) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL16766423 0.85 TDP1 (0.39) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL19667352 0.84 CYP1A2 (0.36) TDP1EPHX1
SCHEMBL8063149 0.83 TDP1 (0.35) TDP1EPHX1S1PR1S1PR3
SCHEMBL16765852 0.83 TDP1 (0.40) TDP1EPHX1ALDH1A1S1PR1S1PR3
SCHEMBL27850923 0.81 TDP1 (0.42) TDP1
SCHEMBL28217865 0.80 CYP1A2 (0.38) TDP1EPHX1

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-6372804-B1 HYDROXYALKYLCYCLOALKANOLS REPELLENTS KANEBO, LTD. (JP) 2002-04-16 US disclosed