SCHEMBL8432572

SCHEMBL8432572

O=C(O)COCC(=O)OCCSCC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 3/20 0.42
▸ TBXA2R P21731 1/20 0.38
▸ NAAA Q02083 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL10990326 0.74 PAM (0.55) PAMTBXA2RPPARALMNANPC1
SCHEMBL8432568 0.73 ALDH1A1 (0.36) PAMLMNANPC1RAB9ATDP1
SCHEMBL8745101 0.71 CYP2C19 (0.36) PAMHPGDHTTKMT2A
SCHEMBL10510400 0.71 PAM (0.58) PAMLMNAMAOBMMP1MMP2
SCHEMBL9857863 0.71 PAM (0.58) PAMLMNAMAOBMMP1MMP2
SCHEMBL9857754 0.68 TDP1 (0.49) PPARATDP1L3MBTL1KMT2A
SCHEMBL5710793 0.67 AKR1B10 (0.67) AKR1B10AKR1B1LMNARAB9ATDP1
SCHEMBL9857547 0.67 TSHR (0.47) NAAALMNATDP1
SCHEMBL15929682 0.66 AKR1B10 (0.65) AKR1B10AKR1B1LMNARAB9ATDP1
SCHEMBL19800778 0.66 GRIK1 (0.54) PAM

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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