SCHEMBL5682114

SCHEMBL5682114

C=CC(=O)NNCCCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.55
ZDHHC2 Q9UIJ5 1/20 0.55
HDAC3 O15379 16/20 0.50
HDAC1 Q13547 13/20 0.42
HDAC2 Q92769 13/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3262448 0.94 ZDHHC20 (0.63) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
SCHEMBL1727586 0.87
Bromide SCHEMBL4449401 0.85 ZDHHC20 (0.47) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4442928 0.85 ZDHHC20 (0.47) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
Trimethylammonium SCHEMBL27513150 0.82 ZDHHC20 (0.44) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
Acetic Acid SCHEMBL3920204 0.82 ZDHHC20 (0.44) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
SCHEMBL588626 0.81 TSHR (0.39) ZDHHC20ZDHHC2HDAC3TSHR
Trimethylammonium SCHEMBL27802499 0.80 ZDHHC20 (0.43) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
Trimethylammonium SCHEMBL27802498 0.80 ZDHHC20 (0.43) ZDHHC20ZDHHC2HDAC3HDAC1HDAC2
SCHEMBL588619 0.79 ZDHHC20 (0.41) ZDHHC20ZDHHC2HDAC3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327010-A Preparation method of 3-tertiary butyl amino acrylamide derivative 常州大学 2024-01-02 CN claimed
EP-0968836-A2 Ink jet recording material containing cationic resin, and recording method Oji Paper Co., Ltd. (JP) 2000-01-05 EP claimed
CN-117327010-A Preparation method of 3-tertiary butyl amino acrylamide derivative 常州大学 2024-01-02 CN disclosed
EP-1604005-B1 WATER-SOLUBLE, LIQUID-CONTAINING POUCH PROCTER & GAMBLE (US) 2016-08-17 EP disclosed
EP-1640444-A1 Water-soluble, liquid-containing pouch THE PROCTER & GAMBLE COMPANY (US) 2006-03-29 EP disclosed
US-6773770-B1 Ink jet recording material and recording method OJI PAPER CO., LTD. (JP) 2004-08-10 US disclosed
EP-0968836-A2 Ink jet recording material containing cationic resin, and recording method Oji Paper Co., Ltd. (JP) 2000-01-05 EP disclosed
US-4120725-A POLYMERS OF ACRYLIC AMIDES AND OF VINYL OR ALLYL ALCOHOLS, VINYL IMIDES OR AMIDES OR VINYL MORPHOLINE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-17 US disclosed