SCHEMBL9155063

SCHEMBL9155063

C=CC(=O)NCC(=O)OO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TGM2 P21980 5/20 0.36
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
TET2 Q6N021 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
RECQL P46063 1/20 0.30
PSMB5 P28074 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL4813094 0.82 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL7920304 0.78 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL25806 0.78
SCHEMBL1488043 0.78 TSHR (0.65) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL4808647 0.77 GAA (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL9138923 0.77 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Alcohol SCHEMBL11584276 0.76 TSHR (0.56) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Ethylene SCHEMBL10406317 0.75
Water SCHEMBL9482345 0.75
SCHEMBL28956758 0.75

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
EP-0182523-B1 Oral hygiene composition and polymers active therein SMITHKLINE BEECHAM PLC (GB) 1995-01-11 EP claimed
US-5336728-A Addition-condensation polymers based on an unsaturated acid and polyethers; anticaries and -deposit agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-09 US claimed
EP-0522668-A2 Polymers active in oral hygiene compositions SMITHKLINE BEECHAM PLC (GB) 1993-01-13 EP claimed
US-5079288-A Antideposit agents for teeth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US claimed
EP-0182523-A2 Oral hygiene composition and polymers active therein SMITHKLINE BEECHAM PLC (GB) 1986-05-28 EP claimed
US-5414060-A Mouthwashes and dentifrices with acrylate polymers modified with ethylene glycol polymers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-05-09 US disclosed
EP-0182523-B1 Oral hygiene composition and polymers active therein SMITHKLINE BEECHAM PLC (GB) 1995-01-11 EP disclosed
US-5336728-A Addition-condensation polymers based on an unsaturated acid and polyethers; anticaries and -deposit agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-09 US disclosed
EP-0522668-A2 Polymers active in oral hygiene compositions SMITHKLINE BEECHAM PLC (GB) 1993-01-13 EP disclosed
US-5079288-A Antideposit agents for teeth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
US-5004631-A Water erodible coating IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 US disclosed
US-4970269-A HYDROLYZABLE PAINTS, ANTIFOULING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-13 US disclosed
US-4963347-A ANTICARIES AGENTS; ESTERIFIED AND AMIDATED ACRYLIC ACID POLYMERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-16 US disclosed
EP-0232006-A2 Compositions for surface treatment, polymers therefor, and method of surface treatment IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP disclosed
EP-0182523-A2 Oral hygiene composition and polymers active therein SMITHKLINE BEECHAM PLC (GB) 1986-05-28 EP disclosed