SCHEMBL8913807

SCHEMBL8913807

O=C(O)c1cc(OCCO)c(OCCO)c(OCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
POLB P06746 3/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
TPMT P51580 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL31578768 0.90 ALDH1A1 (0.44) PLAUCA12CA1CA2CA3
SCHEMBL19970621 0.90 TSHR (0.56) POLBALOX15HTTTSHRGAA
SCHEMBL8659522 0.87 PLA2G2A (0.46) PLAUPOLBTSHRCASP6RARB
SCHEMBL18031322 0.87 TPMT (0.57) CA12CA1CA2CA3PKM
SCHEMBL20370899 0.83 RARB (0.45) PLAUCA12CA1CA2CA3
SCHEMBL14281437 0.83 LMNA (0.44) CA5ATSHRGAAHSD17B10L3MBTL1
SCHEMBL7995915 0.81 PLA2G2A (0.56) TSHRRARBPLA2G2A
SCHEMBL19970626 0.81 TSHR (0.54) POLBALOX15HTTTSHRGAA
SCHEMBL26828022 0.81 TPMT (0.52) PLAUCA12CA1CA2PKM
SCHEMBL13486303 0.80 CA12 (0.44) PLAUCA12CA1CA2CA3

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
US-5686633-A PHOTOSTABILIZERS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-11 US claimed
US-4469820-A Polyurethane prepared from a polyoxyalkylene containing an oxidation inhibiting amount of a benzoic acid salt BASF WYANDOTTE CORPORATION (US) 1984-09-04 US disclosed
US-4426300-A Oxidation stable polyoxyalkylenes containing salts of benzoic acid derivatives BASF WYANDOTTE CORPORATION (US) 1984-01-17 US disclosed