SCHEMBL5489834

SCHEMBL5489834

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 4/20 0.43
ZDHHC20 Q5W0Z9 3/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
FGFR4 P22455 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8743225 0.87 ALDH1A1 (0.39) TSHRALDH1A1ZDHHC20ZDHHC2HPGD
SCHEMBL10538170 0.87 ALDH1A1 (0.39) TSHRALDH1A1ZDHHC20ZDHHC2HPGD
SCHEMBL3709231 0.85 ALDH1A1 (0.37) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL3701495 0.82 ALDH1A1 (0.34) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL10660530 0.82 ALDH1A1 (0.35) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL27401040 0.80 ZDHHC20 (0.33) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL2727312 0.79 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2HPGD
SCHEMBL13862591 0.79 MEN1 (0.36) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL14880 0.78
SCHEMBL3291450 0.77 LMNA (0.37) TSHRALDH1A1ZDHHC20ZDHHC2LMNA

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-108136366-A molecularly imprinted polymer 相位全息成像PHI有限公司 2018-06-08 CN claimed
CN-115876757-A Photonic crystal hydrogel sensor for visual detection of volatile sulfides in breath and preparation method thereof 成都爱睿康乐医疗器械有限公司 2023-03-31 CN disclosed
CN-112457491-A Hyperbranched polyamide-amine HPAA and preparation method and application thereof 华南师范大学 2021-03-09 CN disclosed
CN-108136366-A molecularly imprinted polymer 相位全息成像PHI有限公司 2018-06-08 CN disclosed
US-20070072124-A1 Optical recording composition, production method thereof and optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-4785064-A URETHANE ACRYLATE AND POLYACRYLATE ESTER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-15 US disclosed
US-4650845-A SHRINKAGE-INHIBITED OPTICAL CASTINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-17 US disclosed
EP-0168226-A2 Ultra-violet light curable compositions for abrasion resistant articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-15 EP disclosed