SCHEMBL28100786

SCHEMBL28100786

Cc1cc(C)c(NC(=O)/C=C\C(N)=O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ DDAH1 O94760 1/20 0.57
▸ HPGD P15428 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ LMNA P02545 5/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ PKM P14618 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL6885772 0.84 ALDH1A1 (0.79) ALDH1A1HPGDGAALMNAKMT2A
SCHEMBL6885764 0.84 ALDH1A1 (0.79) ALDH1A1HPGDGAALMNAKMT2A
SCHEMBL9245082 0.80 DDAH1 (0.69) ALDH1A1DDAH1GAALMNAKMT2A
SCHEMBL6455411 0.77 ALDH1A1 (0.57) ALDH1A1HPGDGAALMNAKMT2A
SCHEMBL2003350 0.77 ALDH1A1 (0.61) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL1022819 0.76 ALDH1A1 (0.55) ALDH1A1HPGDGAALMNAKMT2A
SCHEMBL12455921 0.73 NLRP3 (0.50) ALDH1A1HPGDGAALMNAKMT2A
SCHEMBL13755322 0.73 MMP1 (0.63) GAALMNAKMT2AMAPTHTT
SCHEMBL5177465 0.73 DDAH1 (1.00) ALDH1A1DDAH1LMNAMAPTHTT
SCHEMBL2093585 0.73 ALDH1A1 (0.52) ALDH1A1HPGDGAALMNAKMT2A

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
CN-106104333-A Retardation film, and polarizing plate and display device using same 柯尼卡美能达株式会社 2016-11-09 — — CN disclosed
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