SCHEMBL1456416

SCHEMBL1456416

CCCCOC(=O)C1=CCC(C(=O)OCCCC)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ESR1 P03372 7/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL11330914 0.92 TSHR (0.41) TSHRTDP1ESR1LMNAMAPK1
SCHEMBL11337020 0.84 TSHR (0.48) TSHRL3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL1456604 0.83 TSHR (0.35) TSHRESR1LMNAMAPK1ALDH1A1
SCHEMBL20747471 0.82 TSHR (0.44) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL19189795 0.78 LMNA (0.43) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL48333 0.77 TSHR (0.53) TSHRL3MBTL1TDP1ESR1LMNA
Water SCHEMBL15653959 0.76 TSHR (0.51) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL9810695 0.75 ALDH1A1 (0.42) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL9810505 0.75 POLB (0.42) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL879907 0.74 ALDH1A1 (0.42) TSHRL3MBTL1TDP1ESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797150-B1 WATER-BASED INKS FOR INK-JET PRINTING KAO CORP (JP) 2019-02-06 — — EP disclosed
EP-2016140-B1 WATER-BASED INKS FOR INK-JET PRINTING KAO CORP (JP) 2015-06-10 — — EP disclosed
US-8222334-B2 Water-based inks for ink-jet printing KAO CORPORATION (JP) 2012-07-17 — — US disclosed
US-8084516-B2 Water-based inks for ink-jet printing KAO CORPORATION (JP) 2011-12-27 — — US disclosed
US-20110152442-A1 WATER-BASED INKS FOR INK-JET PRINTING KAO CORPORATION (JP) 2011-06-23 — — US disclosed
US-7909446-B2 Water-based inks for ink-jet printing KAO CORPORATION (JP) 2011-03-22 — — US disclosed
US-20090220693-A1 Water-Based Inks for Ink-Jet Printing KAO CORPORATION (JP) 2009-09-03 — — US disclosed
EP-2016140-A2 WATER-BASED INKS FOR INK-JET PRINTING Kao Corporation (JP) 2009-01-21 — — EP disclosed
US-20080192098-A1 Water-Based Inks For Ink-Jet Printing KAO CORPORATION (JP) 2008-08-14 — — US disclosed
US-20080097015-A1 Water-Based Inks for Ink-Jet Printing KAO CORPORATION (JP) 2008-04-24 — — US disclosed
WO-2007126145-A2 WATER-BASED INKS FOR INK-JET PRINTING KAO CORPORATION (JP) 2007-11-08 — — WO disclosed
EP-1797150-A1 WATER-BASED INKS FOR INK-JET PRINTING Kao Corporation (JP) 2007-06-20 — — EP disclosed
WO-2006038727-A1 WATER-BASED INKS FOR INK-JET PRINTING KAO CORPORATION (JP) 2006-04-13 — — WO disclosed
WO-2006038726-A1 WATER-BASED INKS FOR INK-JET PRINTING KAO CORPORATION (JP) 2006-04-13 — — WO disclosed
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