SCHEMBL28018300

SCHEMBL28018300

CCCCCCCCCCCCCCCCC(CC1CO1)C(=O)OCC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RECQL P46063 1/20 0.43
CA2 P00918 3/20 0.42
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36

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
SCHEMBL6736019 0.84 CPB2 (0.44) ALDH1A1TSHRTDP1CA2CA1
SCHEMBL27982261 0.84 CPB2 (0.44) ALDH1A1TSHRTDP1CA2CA1
SCHEMBL2902800 0.83 CYP3A4 (0.60) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL6239514 0.83 CYP3A4 (0.60) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL29195736 0.83 CYP3A4 (0.60) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL7223059 0.82 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28900906 0.82 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28957088 0.81 CYP3A4 (0.57) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28049939 0.81 CA2 (0.42) ALDH1A1CA2MAPK1CA1
SCHEMBL2440937 0.79 CYP3A4 (0.55) ALDH1A1CYP3A4TSHRTDP1ATM

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
CN-101932614-B Process for preparing hard films or coatings from cationically crosslinkable/polymerizable compositions containing iodonium borates and emitting an acceptable odor BLUESTAR SILICONES FRANCE 2015-05-20 CN disclosed