SCHEMBL4773867

SCHEMBL4773867

C=C(C)C(=O)OCCCCCCCCCCCC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.33
CES2 O00748 2/20 0.33
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
EPHX1 P07099 1/20 0.31
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL1419276 1.00 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL13024908 1.00 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL4236447 1.00 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL9301950 1.00 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL17078642 1.00 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL10678713 1.00 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL9303527 0.98 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL6849323 0.93 TSHR (0.56) TSHRHTTPOLBAPEX1TDP1
SCHEMBL23322050 0.86 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1
SCHEMBL23321743 0.86 TSHR (0.59) TSHRHTTPOLBAPEX1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007127065-A9 IN SITU POLYMERIZATION FOR HAIR TREATMENT ANDORA INC (US) 2008-07-31 WO disclosed
WO-2007127065-A2 IN SITU POLYMERIZATION FOR HAIR TREATMENT LIVING PROOF, INC. (US) 2007-11-08 WO disclosed