SCHEMBL8944249

SCHEMBL8944249

O=C(OCCCCCOC(=O)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
SERPINE1 P05121 2/20 0.60
ESR1 P03372 6/20 0.59
AKR1C4 P17516 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
AKR1C1 Q04828 1/20 0.59
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL4419075 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL14356455 0.93 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1041688 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1042164 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1041493 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1038766 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1042508 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1041501 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL6026452 0.91 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7855877 0.91 ESR1 (0.73) CA12CA1CA2CA7CA9

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed