SCHEMBL8434927

SCHEMBL8434927

O=C(O)CCC(=S)NCCSCC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ PAM P19021 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39

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
SCHEMBL8434078 0.82 HDAC3 (0.52) ALDH1A1HPGDPAMKMT2AMEN1
SCHEMBL10990326 0.80 PAM (0.55) ALDH1A1HPGDPAMKMT2ALMNA
(Z)-1,2-Diphenylethene SCHEMBL27527844 0.68 ALDH1A1 (0.73) ALDH1A1PAMKMT2ALMNARAB9A
SCHEMBL19800782 0.66 GRIK1 (0.54) PAM
SCHEMBL19800778 0.66 GRIK1 (0.54) PAM
SCHEMBL7433097 0.65 S1PR1 (0.64) ALDH1A1PAMKMT2ARAB9AHDAC3
SCHEMBL7427930 0.65 S1PR1 (0.64) ALDH1A1PAMKMT2ARAB9AHDAC3
SCHEMBL666894 0.65 PAM (0.64) ALDH1A1PAMLMNAHDAC3HDAC4
SCHEMBL1232837 0.65 PAM (0.64) ALDH1A1PAMLMNAHDAC3HDAC4
SCHEMBL1231739 0.65 PAM (0.64) ALDH1A1PAMLMNAHDAC3HDAC4

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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