SCHEMBL5016587

SCHEMBL5016587

O=C(O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
CA12 O43570 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA3 P07451 1/20 0.64
TYR P14679 1/20 0.64
DRD1 P21728 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA5A P35218 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
SRD5A2 P31213 1/20 0.57
PARP10 Q53GL7 1/20 0.55
HSD17B10 Q99714 2/20 0.52
SENP1 Q9P0U3 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL8422974 1.00 CA1 (0.64) CA1CA2CA12CA7CA9
Paraben SCHEMBL5083082 1.00 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL20500513 1.00 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL17734117 1.00 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL667872 1.00 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL27763413 0.98 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL10493933 0.94 HSD17B10 (0.61) CA1CA2CA12CA7CA9
SCHEMBL5015778 0.94 HSD17B10 (0.61) CA1CA2CA12CA7CA9
Paraben SCHEMBL5083113 0.94 HSD17B10 (0.61) CA1CA2CA12CA7CA9
SCHEMBL11024128 0.94 CA1 (0.57) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335318-B2 Method for manufacturing wholly aromatic liquid-crystalline polyester resin KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2008-02-26 US disclosed
US-20060084747-A1 Method for manufacturing wholly aromatic liquid-crystalline polyester resin KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO 2006-04-20 US disclosed