SCHEMBL28964798

SCHEMBL28964798

C=C(O)OC(=O)c1ccc(C(=O)OC(=C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.44
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TPMT P51580 1/20 0.39
MAPT P10636 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2357050 0.93 TSHR (0.55) TSHRTP53CA1CA2CA12
SCHEMBL13210497 0.90 LMNA (0.58) LMNAF2TSHRTP53TDP1
SCHEMBL10475419 0.89 LMNA (0.50) LMNAF2TSHRTDP1MAPT
SCHEMBL27863223 0.78 LMNA (0.48) LMNAF2TSHRTP53CA1
SCHEMBL5450979 0.77 TDP1 (0.48) LMNAF2TSHRCA1CA2
SCHEMBL28118801 0.77 CA1 (0.38) LMNAF2TSHRCA1CA2
SCHEMBL8717537 0.76 LMNA (0.67) LMNAF2TSHRTP53TDP1
SCHEMBL15129970 0.76 TSHR (0.67) TSHRTP53CA1CA2CA12
SCHEMBL1269049 0.76 TSHR (0.67) TSHRTP53CA1CA2CA12
SCHEMBL110030 0.76 TSHR (0.67) TSHRTP53CA1CA2CA12

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
CN-115734981-A Method for efficient depolymerization of polymers comprising an ester function and purification method thereof 韩国化学研究院 2023-03-03 CN disclosed