SCHEMBL14716619

SCHEMBL14716619

O=C(O)c1ccc(-c2ccc(O)cc2)cc1.O=C(O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
TYR P14679 1/20 0.59
DRD1 P21728 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
ESR2 Q92731 4/20 0.59
ESR1 P03372 3/20 0.59
MEN1 O00255 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
MIF P14174 1/20 0.54

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
Paraben SCHEMBL7261815 0.94 CA12 (0.67) CA12CA1CA2CA3TYR
SCHEMBL9807226 0.94 CA12 (0.60) CA12CA1CA2CA3TYR
SCHEMBL8461210 0.94 CA12 (0.60) CA12CA1CA2CA3TYR
Terephthalic Acid SCHEMBL6052891 0.92 MEN1 (0.63) CA12CA1CA2CA3TYR
SCHEMBL4751255 0.91 ESR1 (0.61) CA12CA1CA2CA3TYR
SCHEMBL3020401 0.91 ESR1 (0.67) CA12CA1CA2CA3TYR
SCHEMBL9944055 0.90 MEN1 (0.66) CA12CA1CA2CA3TYR
SCHEMBL29357264 0.90 MEN1 (0.66) CA12CA1CA2CA3TYR
SCHEMBL44327 0.90 MEN1 (0.66) CA12CA1CA2CA3TYR
Terephthalic Acid SCHEMBL27531137 0.90 CA12 (0.73) CA12CA1CA2CA3TYR

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
US-20130052336-A1 METHOD OF MANUFACTURING LAMINATED BASE MATERIAL AND METHOD OF MANUFACTURING LIQUID CRYSTAL POLYESTER FILM SUMITOMO CHEMICAL COMPANY, LIMITED 2013-02-28 US disclosed