SCHEMBL8434078

SCHEMBL8434078

O=C(O)CCCC(=O)NCCSCC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.52
▸ HDAC4 P56524 4/20 0.52
▸ HDAC1 Q13547 4/20 0.52
▸ HDAC2 Q92769 4/20 0.52
▸ HDAC10 Q969S8 4/20 0.52
▸ HDAC11 Q96DB2 4/20 0.52
▸ HDAC8 Q9BY41 4/20 0.52
▸ HDAC6 Q9UBN7 4/20 0.52
▸ HDAC9 Q9UKV0 4/20 0.52
▸ HDAC7 Q8WUI4 3/20 0.52
▸ HDAC5 Q9UQL6 3/20 0.52
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ TBXA2R P21731 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL8434927 0.82 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL10990326 0.80 PAM (0.55) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL9840562 0.76 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL9840567 0.76 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL8434069 0.73 LMNA (0.50) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL8745112 0.72 HPGD (0.51) LMNATSHRALDH1A1HPGDGAA
(Z)-1,2-Diphenylethene SCHEMBL27882891 0.72 PPARA (0.66) HDAC3HDAC4HDAC1HDAC2HDAC10
(Z)-1,2-Diphenylethene SCHEMBL27882892 0.72 PPARA (0.66) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL8434074 0.72 ALDH1A1 (0.49) LMNATSHRALDH1A1HPGDMEN1
SCHEMBL9396046 0.70 HDAC1 (0.49) HDAC1HDAC8ALDH1A1

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
US-5888723-A SENSITIVE HYBRIDIZATION ASSAY USING NUCLEIC ACID REAGENT COMPOSED OF OLIGONUCLEOTIDES COVALENTLY ATTACHED TO POLYMER PARTICLES WHICH ARE ADHERED TO SUPPORT USING WATER INSOLUBLE ADHESIVE; LOW BACKGROUND JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1999-03-30 — — US disclosed
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