SCHEMBL20102833

SCHEMBL20102833

C=C(C)C(=O)OCCCCOCC1CCC2CC2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14178912 0.86 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17281233 0.81 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17285154 0.80 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17829498 0.77 ALDH1A1 (0.46) TSHRTHRBALDH1A1
SCHEMBL14755423 0.77 ALDH1A1 (0.46) TSHRTHRBALDH1A1
SCHEMBL10073435 0.76 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19789498 0.76 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3477916 0.76 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19844235 0.76 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3874482 0.76 THRB (0.59) 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
EP-2913352-B1 NON-PHOTOSENSITIVE RESIN COMPOSITION NISSAN CHEMICAL IND LTD (JP) 2018-05-02 EP disclosed