SCHEMBL5325148

SCHEMBL5325148

C=CC(=O)OCCCCOC(=O)C(C)=CC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.64
ALDH1A1 P00352 6/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 1/20 0.58
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 3/20 0.41
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 3/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4328170 0.96 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25431935 0.92 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22325553 0.87 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9875480 0.87 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10456655 0.86 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL3748655 0.86 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL16942783 0.85 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9636788 0.85 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3613935 0.84 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27569910 0.84 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53

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
EP-1772754-A1 Radiation-sensitive resin composition for optical waveguides, optical waveguide, and method for manufacturing optical waveguide JSR Corporation (JP) 2007-04-11 EP disclosed