SCHEMBL3280467

SCHEMBL3280467

C=CC(=O)NCN(CCC)CCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.48
ZDHHC2 Q9UIJ5 2/20 0.48
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FAAH O00519 1/20 0.34
TGM2 P21980 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL4977999 0.93 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL4979051 0.92 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3281090 0.89 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3280636 0.87 ZDHHC20 (0.58) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL11153148 0.85 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3279385 0.85 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL20543334 0.84 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3280518 0.83 ALDH1A1 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL2829290 0.82 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL589167 0.82 TSHR (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
EP-2818505-B1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2017-02-01 EP disclosed
EP-2787033-B1 RUBBER COMPOSITION FOR TYRE, AND PNEUMATIC TYRE SUMITOMO RUBBER IND (JP) 2016-09-14 EP disclosed
US-9340663-B2 Rubber composition for tire, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-05-17 US disclosed
EP-2818505-A1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2014-12-31 EP disclosed
US-20140371372-A1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-12-18 US disclosed
US-20140323660-A1 RUBBER COMPOSITION FOR TIRE, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-10-30 US disclosed
US-8865836-B2 Tire rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-10-21 US disclosed
EP-2787033-A1 RUBBER COMPOSITION FOR TYRE, AND PNEUMATIC TYRE Sumitomo Rubber Industries, Ltd. (JP) 2014-10-08 EP disclosed
EP-2543702-B1 Tire rubber composition and pneumatic tire SUMITOMO RUBBER IND (JP) 2013-09-11 EP disclosed
US-4863980-A ADDUCT OF POLYSACCHARIDES AND PHOSPHATIDES VENTURE CHEMICALS, INC. (US) 1989-09-05 US disclosed
US-4552670-A CONTROLLING VISCOSITY OF DRILLING MUDS DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1985-11-12 US disclosed
US-4505828-A ENHANCED OIL RECOVERY DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1985-03-19 US disclosed
US-4431548-A SEWAGE TREATMENT; CO-OR TERPOLYMER HAVING A MONOMER SUCH AS THE SALT OF A DIALKYLAMINOALKYL ACRYLATE AND CHLOROACETIC ACID DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1984-02-14 US disclosed
US-4392917-A IMPROVING DRAINAGE IN PULPING AND PAPERMAKING DIAMOND SHAMROCK CORPORATION (US) 1983-07-12 US disclosed
US-4363886-A Preparation of amphoteric water-in-oil self-inverting polymer emulsion DIAMOND SHAMROCK CORPORATION (US) 1982-12-14 US disclosed
US-4330450-A FOR USE IN PAPER MAKING, SEWAGE TREATMENT, DRILLING MUDS, ENHANCED OIL RECOVERY DIAMOND SHAMROCK CORPORATION (US) 1982-05-18 US disclosed
EP-0039711-A1 AMPHOTERIC WATER-IN-OIL SELF-INVERTING POLYMER EMULSION DIAMOND SHAMROCK CORPORATION (US) 1981-11-18 EP disclosed
WO-1981001007-A1 AMPHOTERIC WATER-IN-OIL SELF-INVERTING POLYMER EMULSION DIAMOND SHAMROCK CORP (US) 1981-04-16 WO disclosed