SCHEMBL20662455

SCHEMBL20662455

C=CC(=C)NCCCCCCCCCCCCCCNC(=C)C=C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC20 Q5W0Z9 1/20 0.45
▸ ZDHHC2 Q9UIJ5 1/20 0.45
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TGM2 P21980 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EPHX1 P07099 5/20 0.32
▸ ALDH1A2 O94788 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ PAOX Q6QHF9 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
SCHEMBL20194258 1.00 ZDHHC20 (0.45) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL26479761 1.00 ZDHHC20 (0.45) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL20172734 0.89 ZDHHC20 (0.38) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL20929104 0.89 ZDHHC20 (0.62) ZDHHC20ZDHHC2EPHX1
SCHEMBL19488911 0.89 ZDHHC20 (0.62) ZDHHC20ZDHHC2EPHX1
SCHEMBL13213243 0.89 PAOX (0.47) ZDHHC20ZDHHC2SMN1; SMN2TSHRDDAH1
SCHEMBL18436243 0.89 ZDHHC20 (0.62) ZDHHC20ZDHHC2EPHX1
SCHEMBL24715551 0.87 ZDHHC20 (0.37) ZDHHC20ZDHHC2HIF1ATGM2ALDH1A1
SCHEMBL24850158 0.85 ZDHHC20 (0.36) ZDHHC20ZDHHC2KDM4EALDH1A1SMN1; SMN2
SCHEMBL24080816 0.85 ZDHHC20 (0.36) ZDHHC20ZDHHC2TGM2ALDH1A1TSHR

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
EP-3327050-B1 CURABLE COMPOSITION FUJIFILM CORP (JP) 2019-01-23 — — EP disclosed
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