SCHEMBL20220280

SCHEMBL20220280

C=CC(=O)NCCCN(CCNC(=O)/C=C/C=C/C(=O)NCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC20 Q5W0Z9 2/20 0.41
▸ ZDHHC2 Q9UIJ5 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TGM2 P21980 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL20051564 0.91 ZDHHC20 (0.49) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12328964 0.89 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12328675 0.87 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12328385 0.86 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL18976866 0.86 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12328965 0.86 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12328383 0.86 TSHR (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL18976871 0.86 TSHR (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12328335 0.86 TSHR (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL20063322 0.84 ZDHHC20 (0.41) 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-3330303-B1 CURABLE COMPOSITION, COATING, AND LAMINATE FUJIFILM CORP (JP) 2019-01-09 — — EP disclosed
EP-3330303-A1 CURABLE COMPOSITION, COATING, AND LAMINATE FUJIFILM Corporation (JP) 2018-06-06 — — EP disclosed
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