SCHEMBL8040751

SCHEMBL8040751

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
PAOX Q6QHF9 1/20 0.30
KDM4E B2RXH2 2/20 0.30
KDM1A O60341 1/20 0.30
CYP1A2 P05177 1/20 0.30

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 0.99 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL7996060 0.92 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL8004880 0.87 ZDHHC20 (0.56) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL10386869 0.83 ZDHHC20 (0.56) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Diethylamine SCHEMBL7649226 0.82 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL112008 0.81 CYP2C19 (0.46) TSHRMAPK1CYP2C19MEN1GLA
SCHEMBL109531 0.81 ZDHHC20 (0.63) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL31441106 0.80 CYP2C19 (0.44) TSHRMAPK1CYP2C19MEN1GLA
Hydrochloric Acid SCHEMBL6762337 0.80 ZDHHC20 (0.61) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL17239830 0.80 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988154-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG Industries Ohio, Inc. (US) 2000-03-29 EP disclosed
WO-1998056591-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG INDUSTRIES OHIO, INC. (US) 1998-12-17 WO disclosed