SCHEMBL5024613

SCHEMBL5024613

O=C(O)c1ccc(OC(=O)c2ccc3cc(C(=O)Oc4ccc(O)cc4)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
KDM4E B2RXH2 1/20 0.50
SRD5A2 P31213 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ESR1 P03372 1/20 0.48

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 SCHEMBL5079569 0.98 CA1 (0.53) CA1CA2CA12CA3TYR
Paraben SCHEMBL5260518 0.97 CA12 (0.52) CA1CA2CA12CA3TYR
SCHEMBL4138214 0.97 KMT2A (0.54) CA1CA2CA12CA3TYR
Terephthalic Acid SCHEMBL4935828 0.97 CA12 (0.52) CA1CA2CA12CA3TYR
SCHEMBL5082552 0.95 KMT2A (0.51) CA1CA2CA12CA3TYR
SCHEMBL4124502 0.95 KMT2A (0.57) CA1CA2CA12CA3TYR
SCHEMBL4132871 0.95 KMT2A (0.54) CA1CA2CA12CA3TYR
SCHEMBL5015779 0.94 HSD17B10 (0.53) CA1CA2CA12CA3TYR
Paraben SCHEMBL5085969 0.94 HSD17B10 (0.53) CA1CA2CA12CA3TYR
SCHEMBL2345023 0.92 HSD17B10 (0.51) CA1CA2CA12CA3TYR

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 4 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
US-6755991-B2 ESPECIALLY 2,6-NAPHTHALENEDICARBOXYLIC ACID MIXED WITH 6-FORMYL-2-NAPHTHOIC ACID, 6-METHOXYCARBONYL-2-NAPHTHOIC ACID OR TRIMELLITIC ACID; ALKALI METAL COMPOUND KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2004-06-29 US disclosed
US-20020045728-A1 Aromatic dicarboxylic acid composition and liquid crystalline polyester resin made from the same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO 2002-04-18 US disclosed