SCHEMBL9766460

SCHEMBL9766460

C=CC(=O)NC(N)(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.31
FGFR4 P22455 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TGM2 P21980 1/20 0.31
THRA P10827 1/20 0.30

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
SCHEMBL9766457 0.83 ZDHHC20 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3319888 0.83 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28463937 0.83 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8772020 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11211649 0.78 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL6574629 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL14816472 0.77 ZDHHC20 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8766001 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL28577582 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL15822273 0.76 TSHR (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045593-A Adducts of Phosphatides and Anionic or Cationic Addition Polymers, Fluid Loss Control Agents, Well Drilling Fluids VENTURE CHEMICALS, INC. (US) 1991-09-03 US disclosed
US-4956104-A OIL WELL FLUIDS, ADDUCT OF A POLYMER AND ONE OR MORE PHOSPHATIDES VENTURE CHEMICALS, INC. (US) 1990-09-11 US 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
EP-0031928-B1 PREPARATION OF WATER-IMMISCIBLE, ACID-SOLUBLE N-(AMINOMETHYL)CARBOXAMIDES, QUATERNARY DERIVATIVES AND POLYMERS THEREOF THE DOW CHEMICAL COMPANY (US) 1983-11-23 EP 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
US-4297256-A Preparation of water-immiscible, acid-soluble N-(aminomethyl)-α,.beta. THE DOW CHEMICAL COMPANY (US) 1981-10-27 US disclosed
US-4297256-A Preparation of water-immiscible, acid-soluble N-(aminomethyl)-α,.beta. THE DOW CHEMICAL COMPANY (US) 1981-10-27 US disclosed
US-4288390-A REACTION IN AN ACIDIC MEDIUM THE DOW CHEMICAL CO. (US) 1981-09-08 US disclosed
EP-0031928-A1 Preparation of water-immiscible, acid-soluble N-(aminomethyl)carboxamides, quaternary derivatives and polymers thereof THE DOW CHEMICAL COMPANY (US) 1981-07-15 EP disclosed
EP-0031928-A1 Preparation of water-immiscible, acid-soluble N-(aminomethyl)carboxamides, quaternary derivatives and polymers thereof THE DOW CHEMICAL COMPANY (US) 1981-07-15 EP disclosed
WO-1981001007-A1 AMPHOTERIC WATER-IN-OIL SELF-INVERTING POLYMER EMULSION DIAMOND SHAMROCK CORP (US) 1981-04-16 WO disclosed
US-4166828-A REACTING ALDEHYDES, AMINES AND UNSATURATED AMIDES THE DOW CHEMICAL COMPANY (US) 1979-09-04 US disclosed
EP-0002254-A1 Preparation of N-(aminomethyl)-alpha,beta-ethylenically unsaturated carboxamides, their polymers and the quaternized carboxamides thereof THE DOW CHEMICAL COMPANY (US) 1979-06-13 EP disclosed
US-4118457-A Redox uranium isotope separation using anion exchangers ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1978-10-03 US disclosed