SCHEMBL9622084

SCHEMBL9622084

C=C(C)C(=O)OCCOC(=O)OC(=O)c1ccc(C(=O)O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ MYC P01106 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL14262486 0.80 TDP1 (0.57) HTTPOLBAPEX1TDP1THRB
SCHEMBL9906840 0.80 HTT (0.44) HTTPOLBAPEX1TDP1THRB
SCHEMBL543628 0.79 POLB (0.56) HTTPOLBAPEX1TDP1THRB
SCHEMBL544688 0.79 TDP1 (0.56) HTTPOLBAPEX1TDP1THRB
SCHEMBL31053930 0.79 TDP1 (0.56) HTTPOLBAPEX1TDP1THRB
SCHEMBL26827969 0.78 POLB (0.58) HTTPOLBAPEX1TDP1THRB
SCHEMBL1535487 0.78 HTT (0.57) HTTPOLBAPEX1TDP1THRB
SCHEMBL2787758 0.76 POLB (0.52) HTTPOLBAPEX1TDP1THRB
SCHEMBL1152169 0.76 TDP1 (0.55) HTTPOLBAPEX1TDP1THRB
SCHEMBL13400178 0.75 POLB (0.42) HTTPOLBAPEX1TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323521-B1 CURABLE COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 — — EP disclosed
US-4920188-A (Meth)acrylate monomer; dental bonding agent MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-04-24 — — US disclosed
EP-0323521-A1 CURABLE COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-07-12 — — EP disclosed
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