SCHEMBL8004880

SCHEMBL8004880

C=CC(=O)NCCCNC.C=CC(=O)NCCCNCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.38
KDM1A O60341 5/20 0.38
KDM4E B2RXH2 2/20 0.36
TGM2 P21980 1/20 0.35
SAT1 P21673 3/20 0.34
PAOX Q6QHF9 2/20 0.34
MAPT P10636 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
SCHEMBL109531 0.93 ZDHHC20 (0.63) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6762337 0.91 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL109832 0.89 ZDHHC20 (0.69) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL111647 0.89 ZDHHC20 (0.62) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10382235 0.87 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL108755 0.87 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL8040751 0.87 ZDHHC20 (0.44) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL22342052 0.87 ZDHHC20 (0.60) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Butane SCHEMBL22264050 0.86 ZDHHC20 (0.65) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL7632875 0.85 ZDHHC20 (0.45) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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