SCHEMBL8034285

SCHEMBL8034285

C=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)NCCCN(CC)CC.C=CC(=O)NCCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.38
GAA P10253 3/20 0.38
PAOX Q6QHF9 1/20 0.38
DNM1 Q05193 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL7630928 1.00 ALDH1A1 (0.49) ALDH1A1ZDHHC20ZDHHC2KDM4EHTT
SCHEMBL8040748 0.96 ALDH1A1 (0.45) ALDH1A1ZDHHC20ZDHHC2KDM4EHTT
SCHEMBL10928630 0.95 ALDH1A1 (0.54) ALDH1A1ZDHHC20ZDHHC2KDM4EGAA
SCHEMBL336776 0.92 ZDHHC20 (0.46) ALDH1A1ZDHHC20ZDHHC2KDM4EHTT
SCHEMBL4729138 0.92 ZDHHC20 (0.47) ALDH1A1ZDHHC20ZDHHC2KDM4EHTT
SCHEMBL8145686 0.90 KDM4E (0.48) ALDH1A1KDM4EGAAPAOXDNM1
SCHEMBL7629628 0.90 ALDH1A1 (0.58) ALDH1A1ZDHHC20ZDHHC2KDM4EHTT
SCHEMBL7633571 0.89 ZDHHC20 (0.40) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
SCHEMBL8040763 0.89 ZDHHC20 (0.40) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
SCHEMBL109564 0.84 ALDH1A1 (0.65) ALDH1A1ZDHHC20ZDHHC2KDM4EGAA

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