SCHEMBL8519927

SCHEMBL8519927

C=C(C)C(=O)OCC(N(CC)CC)N(CC)CC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5956038 0.83 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL28382466 0.83 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL8054350 0.83 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL8471607 0.80 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28477899 0.79 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL11664495 0.76 TSHR (0.78) TSHRTHRBALDH1A1
SCHEMBL6046949 0.75 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10596602 0.75 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL147268 0.74 TSHR (0.71) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3974700 0.74 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1

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-5972553-A A DEVELOPER MIXTURES COMPRISING POLYMER COMPONENTS, A COLORANT, A WAX AND A CHARGE-CONTROLLING AGENT FOR LOW-TEMPERATURE FIXABILITY, ANTI-OFFSET CHARACTERISTIC, A STABLE CHARGEABILITY AND FREENESS FROM SLEEVE GHOST PHENOMENON CANON KABUSHIKI KAISHA (JP) 1999-10-26 US disclosed