SCHEMBL8007370

SCHEMBL8007370

C=C(C)C(=O)NCCCN.C=CCNC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
PAOX Q6QHF9 3/20 0.38
RAB9A P51151 2/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
FAAH O00519 1/20 0.33
DDAH1 O94760 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 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
SCHEMBL4843584 0.84 TSHR (0.45) ZDHHC20ZDHHC2RAB9ATSHRALDH1A1
Acrylamide SCHEMBL28546209 0.83 PAOX (0.43) ZDHHC20ZDHHC2PAOXTSHRALDH1A1
SCHEMBL49567 0.82 PAOX (0.52) PAOXMAPK1TDP1KDM4EGNAI3
SCHEMBL28954974 0.82 PAOX (0.52) PAOXMAPK1TDP1KDM4EGNAI3
SCHEMBL10386869 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Bromide SCHEMBL5665267 0.81 PAOX (0.50) PAOXMAPK1TDP1KDM4EGNAI3
Hydrochloric Acid SCHEMBL82715 0.81 PAOX (0.50) PAOXMAPK1SMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL28412040 0.81 PAOX (0.50) PAOXMAPK1SMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL9092290 0.80 ZDHHC20 (0.36) ZDHHC20ZDHHC2PAOXTSHRALDH1A1
Hydrochloric Acid SCHEMBL9083920 0.80 TSHR (0.50) ZDHHC20ZDHHC2PAOXTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000020926-A9 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS DU PONT (US) 2000-09-14 WO disclosed