SCHEMBL7996060

SCHEMBL7996060

C=C(C)C(=O)NCCNCC.C=CC(=O)NCCNC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 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
SCHEMBL7632875 0.93 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL8040751 0.92 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19880119 0.84 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL17239830 0.84 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL111160 0.82 TGFBR1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL34665 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Diethylamine SCHEMBL7649226 0.81 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL28506311 0.81 ZDHHC20 (0.55) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL17308698 0.81 TGFBR1 (0.33) ALDH1A1
SCHEMBL112305 0.79 TGFBR1 (0.36) ALDH1A1TSHRMAPK1TDP1

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
WO-2000035677-A1 INKJET PRINTING MEDIUM COMPRISING MULTIPLE COATINGS PPG INDUSTRIES OHIO, INC. (US) 2000-06-22 WO disclosed
EP-0988152-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG Industries Ohio, Inc. (US) 2000-03-29 EP disclosed
WO-1998056592-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG INDUSTRIES OHIO, INC. (US) 1998-12-17 WO disclosed