SCHEMBL10714799

SCHEMBL10714799

C=C(C)C(=O)OC1(OC(=O)OCCCC)COO1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.33
ELANE P08246 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 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
SCHEMBL10716076 0.87 TSHR (0.48) TSHRALDH1A1HPGDTHRBELANE
SCHEMBL10714820 0.81 TSHR (0.51) TSHRALDH1A1HPGDTHRBELANE
SCHEMBL3381262 0.76
SCHEMBL7073674 0.75 ALDH1A1 (0.41) TSHRALDH1A1HPGDELANEATM
SCHEMBL3383727 0.75 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL10716033 0.74 TSHR (0.54) TSHRALDH1A1HPGDTHRBELANE
SCHEMBL1792811 0.74
SCHEMBL3381269 0.72
SCHEMBL10716050 0.71 TSHR (0.43) TSHRALDH1A1HPGDTHRBELANE
SCHEMBL6753125 0.71 TSHR (0.61) TSHRALDH1A1HPGDTHRBATM

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-0295821-A2 Method for production of graft resin composition NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-12-21 EP disclosed