SCHEMBL9755536

SCHEMBL9755536

C=C(C)C(=O)OCCOC(=O)C(=C)C.Nc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.41
TPMT P51580 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
DDO Q99489 1/20 0.36
PLA2G2A P14555 1/20 0.34
PLAU P00749 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
NPC1 O15118 2/20 0.33
ELANE P08246 1/20 0.33
PTGER4 P35408 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
SCHEMBL353837 0.87 THRB (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL12196883 0.82 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL27788176 0.81 TSHR (0.50) POLBAPEX1HTTTDP1THRB
SCHEMBL16982215 0.81 TSHR (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL14937515 0.80 TSHR (0.53) POLBAPEX1HTTTDP1TSHR
Methacrylic Acid SCHEMBL9755535 0.79 TPMT (0.45) TDP1THRBTSHRTPMTALDH1A1
SCHEMBL29052705 0.78 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL10719642 0.78 THRB (0.51) POLBAPEX1HTTTDP1THRB
SCHEMBL11999077 0.77 POLB (0.55) POLBAPEX1HTTTDP1THRB
SCHEMBL20649445 0.77 THRB (0.42) POLBAPEX1HTTTDP1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3059031-A None JP disclosed
JP-3059034-A None JP disclosed
JP-H0359034-A PRODUCTION OF POLYIMIDE RESIN HITACHI CHEM CO LTD 1991-03-14 JP disclosed
JP-H0359031-A POLYIMIDOISOINDOLOQUINAZOLINEDIONE AND PRODUCTION OF ITS PRECURSOR HITACHI CHEM CO LTD 1991-03-14 JP disclosed