SCHEMBL5423636

SCHEMBL5423636

O=C1OCCCCCCOC(=O)c2ccc3cc1ccc3c2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.41
NOTUM Q6P988 1/20 0.35
PGR P06401 3/20 0.35
PRKDC P78527 1/20 0.35
SMPD1 P17405 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
SLC6A2 P23975 1/20 0.33
RARA P10276 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL5430449 1.00 GSTP1 (0.41) GSTP1NOTUMPGRPRKDCSMPD1
SCHEMBL250685 0.98 GSTP1 (0.42) GSTP1NOTUMPGRPRKDCSMPD1
SCHEMBL728514 0.94 GSTP1 (0.42) GSTP1NOTUMPGRPRKDCSMPD1
SCHEMBL8160335 0.92 GSTP1 (0.41) GSTP1NOTUMPGRPRKDCSMPD1
SCHEMBL36556 0.89 GSTP1 (0.45) GSTP1NOTUMPGRPRKDCHDAC4
Terephthalic Acid SCHEMBL11133121 0.84 RARB (0.48) RARBRARGRARA
SCHEMBL3174046 0.84 CA1 (0.40) PGRCA1CA9TSHRCLK1
SCHEMBL4157033 0.84 CA1 (0.40) PGRCA1CA9TSHRCLK1
SCHEMBL597282 0.84 CA1 (0.40) PGRCA1CA9TSHRCLK1
SCHEMBL2483184 0.84 CA1 (0.40) PGRCA1CA9TSHRCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224458-A1 Magnetic recording medium FUJIFILM CORPORATION (JP) 2007-09-27 US claimed
US-3961008-A EXTRUSION OF TETRAMETHYLENE OR HEXAMETHYLENE NAPHTHALENEDICARBOXYLIC ACID TEIJIN LIMITED (JA) 1976-06-01 US claimed
US-3952125-A UNSTRETCHED FILM OF A POLYESTER HAVING A HEXAMETHYLENE NAPHTHALENE-2,6-DICARBOXYLATE TEIJIN LIMITED (JA) 1976-04-20 US claimed
EP-1661932-B1 POLYESTER RESIN AND POLYESTER RESIN LAMINATE CONTAINER MITSUI CHEMICALS INC (JP) 2014-10-08 EP disclosed
JP-2007287312-A MAGNETIC RECORDING MEDIUM FUJIFILM CORP 2007-11-01 JP disclosed
US-20070224458-A1 Magnetic recording medium FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-20070224458-A1 Magnetic recording medium FUJIFILM CORPORATION (JP) 2007-09-27 US disclosed
US-7153587-B2 Polyester resin and polyester resin laminate container MITSUI CHEMICALS, INC. (JP) 2006-12-26 US disclosed
US-20060204771-A1 POLYESTER RESIN AND POLYESTER RESIN LAMINATE CONTAINER MITSUI CHEMICALS, INC. (JP) 2006-09-14 US disclosed
EP-1661932-A1 POLYESTER RESIN AND POLYESTER RESIN LAMINATE CONTAINER Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed
US-3963844-A HAVING TETRAMETHYLENE 2,6-NAPHTHALATE UNITS TEIJIN LIMITED (JA) 1976-06-15 US disclosed
US-3961008-A EXTRUSION OF TETRAMETHYLENE OR HEXAMETHYLENE NAPHTHALENEDICARBOXYLIC ACID TEIJIN LIMITED (JA) 1976-06-01 US disclosed
US-3961008-A EXTRUSION OF TETRAMETHYLENE OR HEXAMETHYLENE NAPHTHALENEDICARBOXYLIC ACID TEIJIN LIMITED (JA) 1976-06-01 US disclosed
US-3952125-A UNSTRETCHED FILM OF A POLYESTER HAVING A HEXAMETHYLENE NAPHTHALENE-2,6-DICARBOXYLATE TEIJIN LIMITED (JA) 1976-04-20 US disclosed
US-3952125-A UNSTRETCHED FILM OF A POLYESTER HAVING A HEXAMETHYLENE NAPHTHALENE-2,6-DICARBOXYLATE TEIJIN LIMITED (JA) 1976-04-20 US disclosed