SCHEMBL8432568

SCHEMBL8432568

C=C(CSCCOC(=O)COCC(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ PAM P19021 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGIR P43119 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL8434720 0.78 USP2 (0.44) ALDH1A1TDP1SMN1; SMN2L3MBTL1NPC1
SCHEMBL7900079 0.74 CYP2C19 (0.53) ALDH1A1TDP1SMN1; SMN2HDAC1HDAC2
SCHEMBL8432572 0.73 PAM (0.42) PAMTDP1SMN1; SMN2L3MBTL1NPC1
SCHEMBL7900060 0.71 ALDH1A1 (0.66) ALDH1A1PAMTDP1SMN1; SMN2L3MBTL1
SCHEMBL8745101 0.69 CYP2C19 (0.36) ALDH1A1PAM
SCHEMBL7900084 0.68 MAOA (0.42) ALDH1A1TDP1MAPT
SCHEMBL10063779 0.68 HPGD (0.51) PAML3MBTL1NPC1RAB9AMAPT
SCHEMBL3194897 0.68 TDP1 (0.54) ALDH1A1TDP1SMN1; SMN2HDAC1HDAC2
SCHEMBL7892776 0.67 CYP1A2 (0.47) ALDH1A1
SCHEMBL6416798 0.66 ALDH1A1 (0.61) ALDH1A1PAMTDP1SMN1; SMN2L3MBTL1

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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