SCHEMBL6470862

SCHEMBL6470862

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ACACB O00763 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28611505 0.85 TSHR (0.38) TSHRACACB
SCHEMBL1635259 0.81 TSHR (0.41) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL16333815 0.79 TSHR (0.50) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL424692 0.77 TSHR (0.48) TSHRACACBALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL5487753 0.76 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL176143 0.76 TSHR (0.52) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL9139050 0.75 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL3884328 0.74 TSHR (0.45) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL1315706 0.74
SCHEMBL1336616 0.74 TSHR (0.60) TSHRACACBALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586645-A Coloring composition containing dioxazine pigment and color filter 大塚化学株式会社 2024-02-23 CN disclosed
CN-107075149-B Method for producing water-absorbent polymer sheet 迪睿合株式会社 2020-06-26 CN disclosed
WO-2005054548-A2 METHODS, COMPOSITIONS, AND KITS FOR PROTEIN CRYSTALLIZATION INVITROGEN CORPORATION (US) 2005-06-16 WO disclosed