SCHEMBL5067291

SCHEMBL5067291

C=CC(=O)OC1CCCCC1.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.71
CYP3A4 P08684 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
NAAA Q02083 2/20 0.41
ALDH1A1 P00352 5/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL5689961 0.90 TSHR (0.63) TSHRCYP3A4TDP1ATMNAAA
SCHEMBL11133782 0.90 TSHR (0.56) TSHRCYP3A4TDP1ATMNAAA
SCHEMBL20609794 0.84 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL29596375 0.84 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL16765797 0.84 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL14869 0.84 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL27646321 0.84 TSHR (0.72) TSHRCYP3A4TDP1ATMALDH1A1
Hydrochloric Acid SCHEMBL10432463 0.83 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1
Bromide SCHEMBL20490069 0.83 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL31738423 0.83 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141610-A2 Optical elements comprising polymers of (meth)acrylate esters Hitachi Chemical Co., Ltd. (JP) 1985-05-15 EP claimed
EP-1781741-B1 CURABLE ORGANOPOLYSILOXANE COMPOSITION, METHOD OF CURING THEREOF, SEMICONDUCTOR DEVICE, AND ADHESION PROMOTER DOW CORNING TORAY CO LTD (JP) 2008-08-27 EP disclosed
EP-0875142-B1 Stable pesticide dispersions ROHM & HAAS (US) 2003-07-02 EP disclosed
US-6210696-B1 Stable pesticide dispersions ROHM AND HAAS COMPANY 2001-04-03 US disclosed
EP-0875142-A2 Stable presticide dispersions ROHM AND HAAS COMPANY (US) 1998-11-04 EP disclosed
EP-0454980-B1 Encapsulated toners and processes thereof XEROX CORP (US) 1998-08-05 EP disclosed
EP-0436080-B1 Core-shell polymer and its use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-01-10 EP disclosed
US-5280075-A Core is blend butadiene-styrene copolymer, alkyl acrylate; shellis acrylonitrile-styrene copolymer and alkyl methacrylate TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-18 US disclosed
US-5139915-A ENCAPSULATED TONERS AND PROCESSES THEREOF XEROX CORPORATION (US) 1992-08-18 US disclosed
EP-0454980-A1 Encapsulated toners and processes thereof XEROX CORPORATION (US) 1991-11-06 EP disclosed
EP-0436080-A2 Core-shell polymer and its use Takeda Chemical Industries, Ltd. (JP) 1991-07-10 EP disclosed