SCHEMBL9765889

SCHEMBL9765889

C=C(C(=O)O)C(C)C=CC(=O)O.C=C(C)C(=O)OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.38
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 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
Fumaric Acid SCHEMBL28356830 0.83 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
Fumaric Acid SCHEMBL690033 0.83 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
Maleic Acid SCHEMBL690032 0.83 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
Maleic Acid SCHEMBL27995521 0.80 THRB (0.43) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL11062934 0.79 GABRP (0.45) TSHRGABRPGABRDGABRA1GABRB1
Methacrylic Acid SCHEMBL467445 0.78 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL9453862 0.78 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL357768 0.78 GABRP (0.50) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL29132467 0.77 HCAR2 (0.53) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL3448070 0.77 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT

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
JP-3223377-A None JP disclosed
JP-H03223377-A FUNCTIONAL GROUP-CONTAINING SUBSTRATE, PREPARATION OF THE SAME, AND MEDICAL MATERIAL AND EQUIPMENT USING THE SUBSTRATE TERUMO CORP 1991-10-02 JP disclosed