SCHEMBL7937539

SCHEMBL7937539

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 2/20 0.33
TGM2 P21980 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
GAA P10253 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
SCHEMBL1694690 0.79 TSHR (0.39) TSHRCYP2C19ALDH1A1GAA
SCHEMBL29244359 0.76 TSHR (0.65) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL1907642 0.76 TSHR (0.65) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL125983 0.76
SCHEMBL8643961 0.76 TSHR (0.65) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL15072 0.75
SCHEMBL27799665 0.75 TSHR (1.00) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL636063 0.75 TSHR (0.71) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL26479936 0.75 TSHR (0.71) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL3888297 0.74 TSHR (0.62) TSHRCYP2C19ALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606393-A Amphiphilic compound, and medical resin composition and drug additive each comprising the same 株式会社日本触媒 2023-08-18 CN disclosed
CN-116589702-A Amphiphilic compound, and medical resin composition and drug additive each comprising the same 株式会社日本触媒 2023-08-15 CN disclosed
CN-113646341-B Amphiphilic compound, and medical resin composition and drug additive each comprising the same 株式会社日本触媒 2023-04-18 CN disclosed
US-6258275-B1 Affinity macroligands ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2001-07-10 US disclosed